Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

1000018 07 4 | Cheminformatics

Chemical : 1-Methyl-4-phenoxy-1H-indazol-3-amine

Casrn : 1000018-07-4

MolName : 1-Methyl-4-phenoxy-1H-indazol-3-amine

MolecularFormula : C14H13N3O

Smiles : Cn(c1cccc(Oc2ccccc2)c11)nc1N

InChI : InChI=1S/C14H13N3O/c1-17-11-8-5-9-12(13(11)14(15)16-17)18-10-6-3-2-4-7-10/h2-9H,1H3,(H2,15,16)

InChIK : WRWPMLQRWYBBLY-UHFFFAOYSA-N

CanonicalSyTyLFy : 4479f2ac4b726cf6

TotalMolweight : 239.277

Molweight : 239.277

MonoisotopicMass : 239.105862

CLogP : 2.1085

CLogS : -4.782

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 186.36

Relative PSA : 0.23133

PolarSurfaceArea : 53.07

Druglikeness : 1.9531

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.55556

Molecula Flexibility : 0.40052

Molecular Complexity : 0.79493

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 2

Symmetricatoms : 2

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-71-0nonenonenoneC7H9N107.155-2.2725
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100017-22-9highhighhighC5H8O2100.117-8.1063
100-63-0highhighnoneC6H8N2108.144-4.3224
100-65-2highnonenoneC6H7NO109.128-1.548
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100-22-1highhighnoneC10H16N2164.2510.40939
100-69-6nonenonenoneC7H7N105.14-4.4598
100-38-9nonenonehighC6H15NS133.2580.17671
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
1000-91-5nonenonehighC5H14OSi118.251-35.679
100004-93-1nonehighnoneC16H11NO2249.268-1.5746
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-52-7highhighhighC7H6O106.124-4.225
1000-41-5nonenonelowC10H18O154.252-9.05
10003-67-5nonenonenoneC33H62O6554.849-22.973
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100-47-0highnonehighC7H5N103.124-6.0498
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100031-92-3nonenonehighC10H30OSi4278.691-53.619
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000269-65-7nonenonenoneC12H19N3205.3040.25629
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100021-05-4nonenonenoneC21H28O2312.4510.95307
100-56-1highlowlowC6H5ClHg313.149-2.3575
100-73-2highnonenoneC6H8O2112.128-6.3422
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100-96-9highnonenoneC7H10N2O138.169-1.7412
100010-21-7nonenonenoneC14H21NO219.327-4.2999