Iprindole hydrochloride

CAS Number: 20432-64-8
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CN(C)CCCn1c(cccc2)c2c2c1CCCCCC2.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C19H28N2
Molecular Weight
284.445
Drug-likeness
0.99557
CAS
20432-64-8
InChI key
ZQUYTAXPERMDKM-UHFFFAOYSA-N
SMILES
CN(C)CCCn1c(cccc2)c2c2c1CCCCCC2.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 20432-64-8
Molecule Name Iprindole hydrochloride
Molecular Formula HCl.C19H28N2
SMILES CN(C)CCCn1c(cccc2)c2c2c1CCCCCC2.Cl
InChI InChI=1S/C19H28N2.ClH/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21;/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3;1H
InChI Key ZQUYTAXPERMDKM-UHFFFAOYSA-N
CanonicalSyTyLFy 9b0299a402ef493b
TotalMolweight 320.906
Molecular Weight 284.445
MonoisotopicMass 284.225248
CLogP 4.2491
CLogS -2.858
H Acceptors 2
TotalSurfaceArea 242.22
Relative PSA 0.043019
PolarSurfaceArea 8.17
Drug-likeness 0.99557
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.52381
Molecula Flexibility 0.40857
Molecular Complexity 0.85449
Fragments 2
Non HAtoms 21
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 4
Rings Closures 3
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 12
Symmetricatoms 1
Amines 1
AlkylAmines 1
Aromatic Nitrogens 1
BasicNitrogens 1

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