Pildralazine dihydrochloride

CAS Number: 56393-22-7
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CC(CN(C)c(cc1)nnc1NN)O.Cl.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.HCl.C8H15N5O
Molecular Weight
197.241
Drug-likeness
-1.3645
CAS
56393-22-7
InChI key
ZEJHFYVAMIWPTN-ILKKLZGPSA-N
SMILES
CC(CN(C)c(cc1)nnc1NN)O.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 56393-22-7
Molecule Name Pildralazine dihydrochloride
Molecular Formula HCl.HCl.C8H15N5O
SMILES CC(CN(C)c(cc1)nnc1NN)O.Cl.Cl
InChI InChI=1S/C8H15N5O.2ClH/c1-6(14)5-13(2)8-4-3-7(10-9)11-12-8;;/h3-4,6,14H,5,9H2,1-2H3,(H,10,11);2*1H/t6-;;/m0../s1
InChI Key ZEJHFYVAMIWPTN-ILKKLZGPSA-N
CanonicalSyTyLFy 48a486068787748e
TotalMolweight 270.163
Molecular Weight 197.241
MonoisotopicMass 197.12766
CLogP 0.2304
CLogS -1.421
H Acceptors 6
H Donors 3
TotalSurfaceArea 158.19
Relative PSA 0.41292
PolarSurfaceArea 87.3
Drug-likeness -1.3645
Mutagenic low
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.71429
Molecula Flexibility 0.6159
Molecular Complexity 0.62421
Fragments 3
Non HAtoms 14
NonCHAtoms 6
Electronegative Atoms 6
StereoCenters 1
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Aromatic Nitrogens 2
StereoCon racemate

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