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24629 73 0 | Cheminformatics

Chemical : (1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)hydrazine--hydrogen chloride (1/1)

Casrn : 24629-73-0

MolName : (1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)hydrazine--hydrogen chloride (1/1)

MolecularFormula : HCl.C10H20N2

Smiles : CC(C)(C(CC1)C2)C1(C)C2NN.Cl

InChI : InChI=1S/C10H20N2.ClH/c1-9(2)7-4-5-10(9,3)8(6-7)12-11;/h7-8,12H,4-6,11H2,1-3H3;1H

InChIK : MEIAYPPEPBKAHH-UHFFFAOYSA-N

CanonicalSyTyLFy : 453e736ea615c4e7

TotalMolweight : 204.744

Molweight : 168.283

MonoisotopicMass : 168.162648

CLogP : 0.8737

CLogS : -2.754

H Acceptors : 2

H Donors : 2

TotalSurfaceArea : 130.36

Relative PSA : 0.20505

PolarSurfaceArea : 38.05

Druglikeness : -6.7933

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : hydrazine

Shape Index : 0.5

Molecula Flexibility : 0.21342

Molecular Complexity : 0.75722

Fragments : 2

Non HAtoms : 12

NonCHAtoms : 2

Electronegative Atoms : 2

StereoCenters : 3

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 3

Sp3Atoms : 12

Symmetricatoms : 1

StereoCon : unknown chirality

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000-91-5nonenonehighC5H14OSi118.251-35.679
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100012-67-7highhighhighC12H12O5236.222-19.846
1000-69-7highnonelowC7H18SSn252.996-9.6969
100-75-4highhighhighC5H10N2O114.147-0.86877
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100-73-2highnonenoneC6H8O2112.128-6.3422
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000-82-4lowhighhighC2H6N2O290.08160.41759
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100009-88-9nonenonenoneC18H45N7359.604-4.1108
100020-94-8highnonelowC12H17OCl212.719-11.962
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100-28-7highlowlowC7H4N2O3164.12-21.552
1000-44-8highhighlowC7H7Cl126.586-8.5908
017257-81-7nonenonenoneC6H10O2114.1430.9106
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100-45-8nonenonehighC7H9N107.155-10.018
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100-79-8nonelownoneC6H12O3132.158-9.8672
1000-78-8highlownoneC11H24N2184.326-10.254
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100020-95-9highnonelowC12H17OCl212.719-11.962
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100011-00-5nonenonenoneC15H24O2236.354-18.044
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100-18-5nonenonenoneC12H18162.275-2.5088
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-82-3nonenonenoneC7H8NF125.146-3.4112
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100-21-0highnonehighC8H6O4166.132-1.8442
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000-84-6nonenonehighC4H9NO87.1215-6.3779