Dihydralazine hydrochloride

CAS Number: 63868-75-7
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NNc(c1ccccc11)nnc1NN.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C8H10N6
Molecular Weight
190.209
Drug-likeness
-4.3224
CAS
63868-75-7
InChI key
IKVCCOSAYBITFB-UHFFFAOYSA-N
SMILES
NNc(c1ccccc11)nnc1NN.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 63868-75-7
Molecule Name Dihydralazine hydrochloride
Molecular Formula HCl.C8H10N6
SMILES NNc(c1ccccc11)nnc1NN.Cl
InChI InChI=1S/C8H10N6.ClH/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;/h1-4H,9-10H2,(H,11,13)(H,12,14);1H
InChI Key IKVCCOSAYBITFB-UHFFFAOYSA-N
CanonicalSyTyLFy 9820c400c91c2412
TotalMolweight 226.67
Molecular Weight 190.209
MonoisotopicMass 190.096694
CLogP 1.652
CLogS -2.614
H Acceptors 6
H Donors 4
TotalSurfaceArea 145.34
Relative PSA 0.51878
PolarSurfaceArea 101.88
Drug-likeness -4.3224
Mutagenic none
Tumorigenic high
Reproductive Effective high
Irritant none
Nasty Functions hydrazine
Shape Index 0.57143
Molecula Flexibility 0.12348
Molecular Complexity 0.68393
Fragments 2
Non HAtoms 14
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 10
Sp3Atoms 2
Symmetricatoms 7
Aromatic Nitrogens 2

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