4H-Pyrazino(3,2,1-jk)carbazole, 5,6-dihydro-8-methyl-, monohydrochloride

CAS Number: 15932-34-0
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Cc(cc1)cc2c1n1c3c2CCCc3ncc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C15H14N2
Molecular Weight
222.29
Drug-likeness
-1.5825
CAS
15932-34-0
InChI key
NUZIMYNKWLHGEJ-UHFFFAOYSA-N
SMILES
Cc(cc1)cc2c1n1c3c2CCCc3ncc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 15932-34-0
Molecule Name 4H-Pyrazino(3,2,1-jk)carbazole, 5,6-dihydro-8-methyl-, monohydrochloride
Molecular Formula HCl.C15H14N2
SMILES Cc(cc1)cc2c1n1c3c2CCCc3ncc1.Cl
InChI InChI=1S/C15H14N2.ClH/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13;/h5-9H,2-4H2,1H3;1H
InChI Key NUZIMYNKWLHGEJ-UHFFFAOYSA-N
CanonicalSyTyLFy f948f573f22e7c77
TotalMolweight 258.751
Molecular Weight 222.29
MonoisotopicMass 222.115698
CLogP 2.8488
CLogS -4.743
H Acceptors 2
TotalSurfaceArea 171.91
Relative PSA 0.11006
PolarSurfaceArea 17.3
Drug-likeness -1.5825
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.47059
Molecula Flexibility 0.06244
Molecular Complexity 0.89613
Fragments 2
Non HAtoms 17
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 4
Small Rings 4
Aromatic Rings 3
Aromatic Atoms 13
Sp3Atoms 4
Aromatic Nitrogens 2

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