100 63 0 | Cheminformatics

Phenylhydrazine

Formula:C6H8N2 CAS:100-63-0

PropertyValue
Casrn100-63-0
MolNamePhenylhydrazine
MolecularFormulaC6H8N2
SmilesNNc1ccccc1
InChIInChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
InChIKHKOOXMFOFWEVGF-UHFFFAOYSA-N
CanonicalSyTyLFy6b8a9dc30405c9c9
TotalMolweight108.144
Molweight108.144
MonoisotopicMass108.068748
CLogP1.6221
CLogS-1.41
H Acceptors2
H Donors2
TotalSurfaceArea93.24
Relative PSA0.28668
PolarSurfaceArea38.05
Druglikeness-4.3224
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionshydrazine
Shape Index0.75
Molecula Flexibility0.32203
Molecular Complexity0.54931
Fragments1
Non HAtoms8
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms1
Symmetricatoms2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100011-00-5nonenonenoneC15H24O2236.354-18.044
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000-86-8nonenonenoneC7H1296.1723-10.397
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100-96-9highnonenoneC7H10N2O138.169-1.7412
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
10-31-2001nonenonenoneC21H28NO6P421.428-10.542
100010-21-7nonenonenoneC14H21NO219.327-4.2999
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100-63-0highhighnoneC6H8N2108.144-4.3224
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100-13-0nonenonelowC8H7NO2149.149-10.212
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-18-5nonenonenoneC12H18162.275-2.5088
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100020-83-5nonenonelowC7H11O3B153.972-20.814
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-70-9nonenonenoneC6H4N2104.112-6.0498
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-97-0highhighhighC6H12N4140.1891.5849
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-12-9nonenonenoneC8H9NO2151.164-7.7443
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100009-92-5nonenonenoneC20H23NO4341.4064.6216
1000339-31-0nonenonehighC12H16NCl209.7190.65299
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100-20-9highnonelowC8H4O2Cl2203.024-10.706