Ethanol, 2,2'-((6-hydrazino-5-methyl-3-pyridazinyl)imino)bis-, dihydrochloride

CAS Number: 56383-38-1
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Cc1cc(N(CCO)CCO)nnc1NN.Cl.Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: low
Formula
HCl.HCl.C9H17N5O2
Molecular Weight
227.267
Drug-likeness
-1.3814
CAS
56383-38-1
InChI key
HVSAFGIFZLXZAO-UHFFFAOYSA-N
SMILES
Cc1cc(N(CCO)CCO)nnc1NN.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 56383-38-1
Molecule Name Ethanol, 2,2'-((6-hydrazino-5-methyl-3-pyridazinyl)imino)bis-, dihydrochloride
Molecular Formula HCl.HCl.C9H17N5O2
SMILES Cc1cc(N(CCO)CCO)nnc1NN.Cl.Cl
InChI InChI=1S/C9H17N5O2.2ClH/c1-7-6-8(12-13-9(7)11-10)14(2-4-15)3-5-16;;/h6,15-16H,2-5,10H2,1H3,(H,11,13);2*1H
InChI Key HVSAFGIFZLXZAO-UHFFFAOYSA-N
CanonicalSyTyLFy dd1af0e70c7139fe
TotalMolweight 300.189
Molecular Weight 227.267
MonoisotopicMass 227.138225
CLogP -0.3054
CLogS -1.18
H Acceptors 7
H Donors 4
TotalSurfaceArea 181.06
Relative PSA 0.43312
PolarSurfaceArea 107.53
Drug-likeness -1.3814
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant low
Nasty Functions hydrazine
Shape Index 0.625
Molecula Flexibility 0.65749
Molecular Complexity 0.69969
Fragments 3
Non HAtoms 16
NonCHAtoms 7
Electronegative Atoms 7
Rotatable Bond 6
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 8
Symmetricatoms 3
Aromatic Nitrogens 2

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