Acridine, 9-(2,2-dimethylhydrazino)-, monohydrochloride

CAS Number: 1086-34-6
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CN(C)Nc1c(cccc2)c2nc2ccccc12.Cl
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: none
Formula
HCl.C15H15N3
Molecular Weight
237.305
Drug-likeness
0.79491
CAS
1086-34-6
InChI key
HWOJJTKPPQZPMJ-UHFFFAOYSA-N
SMILES
CN(C)Nc1c(cccc2)c2nc2ccccc12.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1086-34-6
Molecule Name Acridine, 9-(2,2-dimethylhydrazino)-, monohydrochloride
Molecular Formula HCl.C15H15N3
SMILES CN(C)Nc1c(cccc2)c2nc2ccccc12.Cl
InChI InChI=1S/C15H15N3.ClH/c1-18(2)17-15-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;/h3-10H,1-2H3,(H,16,17);1H
InChI Key HWOJJTKPPQZPMJ-UHFFFAOYSA-N
CanonicalSyTyLFy eb259685a67f8ff6
TotalMolweight 273.766
Molecular Weight 237.305
MonoisotopicMass 237.126597
CLogP 3.4263
CLogS -2.988
H Acceptors 3
H Donors 1
TotalSurfaceArea 187.5
Relative PSA 0.13856
PolarSurfaceArea 28.16
Drug-likeness 0.79491
Mutagenic high
Tumorigenic low
Reproductive Effective none
Irritant none
Shape Index 0.44444
Molecula Flexibility 0.24886
Molecular Complexity 0.78531
Fragments 2
Non HAtoms 18
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 14
Sp3Atoms 4
Symmetricatoms 7
Aromatic Nitrogens 1
BasicNitrogens 1

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