Acetohydroxamic acid, N-fluoren-2-yl-, potassium salt

CAS Number: 6023-26-3
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CC(N(c(cc1)cc(C2)c1-c1c2cccc1)[O-])=O.[K+]
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
K.C15H12NO2
Molecular Weight
238.265
Drug-likeness
0.34043
CAS
6023-26-3
InChI key
LGDTUMNTSLLASK-UHFFFAOYSA-N
SMILES
CC(N(c(cc1)cc(C2)c1-c1c2cccc1)[O-])=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6023-26-3
Molecule Name Acetohydroxamic acid, N-fluoren-2-yl-, potassium salt
Molecular Formula K.C15H12NO2
SMILES CC(N(c(cc1)cc(C2)c1-c1c2cccc1)[O-])=O.[K+]
InChI InChI=1S/C15H12NO2.K/c1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15;/h2-7,9H,8H2,1H3;/q-1;+1
InChI Key LGDTUMNTSLLASK-UHFFFAOYSA-N
CanonicalSyTyLFy d57928ec449250d2
TotalMolweight 277.363
Molecular Weight 238.265
MonoisotopicMass 238.086804
CLogP 2.8739
CLogS -4.155
H Acceptors 3
TotalSurfaceArea 181.12
Relative PSA 0.17044
PolarSurfaceArea 43.37
Drug-likeness 0.34043
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecula Flexibility 0.25978
Molecular Complexity 0.79977
Fragments 2
Non HAtoms 18
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3

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