9-Methylacridine--hydrogen chloride (1/1)

CAS Number: 64002-60-4
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Cc1c(cccc2)c2nc2ccccc12.Cl
Molecule Information
Mutagenic: low Tumorigenic: low Irritant: none
Formula
HCl.C14H11N
Molecular Weight
193.248
Drug-likeness
-1.995
CAS
64002-60-4
InChI key
KYRGJAWFJMXYGH-UHFFFAOYSA-N
SMILES
Cc1c(cccc2)c2nc2ccccc12.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 64002-60-4
Molecule Name 9-Methylacridine--hydrogen chloride (1/1)
Molecular Formula HCl.C14H11N
SMILES Cc1c(cccc2)c2nc2ccccc12.Cl
InChI InChI=1S/C14H11N.ClH/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;/h2-9H,1H3;1H
InChI Key KYRGJAWFJMXYGH-UHFFFAOYSA-N
CanonicalSyTyLFy 5b1d08904b376827
TotalMolweight 229.709
Molecular Weight 193.248
MonoisotopicMass 193.089149
CLogP 3.6364
CLogS -4.167
H Acceptors 1
TotalSurfaceArea 153.48
Relative PSA 0.071475
PolarSurfaceArea 12.89
Drug-likeness -1.995
Mutagenic low
Tumorigenic low
Reproductive Effective none
Irritant none
Shape Index 0.53333
Molecular Complexity 0.73114
Fragments 2
Non HAtoms 15
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 14
Sp3Atoms 1
Symmetricatoms 6
Aromatic Nitrogens 1

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