4H-Pyrazino(3,2,1-jk)carbazole, 5,6-dihydro-, monohydrochloride

CAS Number: 15932-32-8
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C(C1)Cc2nccn3c2c1c1c3cccc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C14H12N2
Molecular Weight
208.263
Drug-likeness
-1.5
CAS
15932-32-8
InChI key
NLHDAQUQUWQAIY-UHFFFAOYSA-N
SMILES
C(C1)Cc2nccn3c2c1c1c3cccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 15932-32-8
Molecule Name 4H-Pyrazino(3,2,1-jk)carbazole, 5,6-dihydro-, monohydrochloride
Molecular Formula HCl.C14H12N2
SMILES C(C1)Cc2nccn3c2c1c1c3cccc1.Cl
InChI InChI=1S/C14H12N2.ClH/c1-2-7-13-10(4-1)11-5-3-6-12-14(11)16(13)9-8-15-12;/h1-2,4,7-9H,3,5-6H2;1H
InChI Key NLHDAQUQUWQAIY-UHFFFAOYSA-N
CanonicalSyTyLFy 202e5960a9470dac
TotalMolweight 244.724
Molecular Weight 208.263
MonoisotopicMass 208.100048
CLogP 2.5049
CLogS -4.399
H Acceptors 2
TotalSurfaceArea 159.65
Relative PSA 0.11851
PolarSurfaceArea 17.3
Drug-likeness -1.5
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.4375
Molecula Flexibility 0.062846
Molecular Complexity 0.88197
Fragments 2
Non HAtoms 16
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 4
Small Rings 4
Aromatic Rings 3
Aromatic Atoms 13
Sp3Atoms 3
Aromatic Nitrogens 2

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