(2-Amino-9H-fluoren-9-yl)methanol

CAS Number: 162021-14-9
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Nc(cc1)cc(C2CO)c1-c1c2cccc1
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
C14H13NO
Molecular Weight
211.263
Drug-likeness
-1.5942
CAS
162021-14-9
InChI key
SYEYUWQQBFAPGD-AWEZNQCLSA-N
SMILES
Nc(cc1)cc(C2CO)c1-c1c2cccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 162021-14-9
Molecule Name (2-Amino-9H-fluoren-9-yl)methanol
Molecular Formula C14H13NO
SMILES Nc(cc1)cc(C2CO)c1-c1c2cccc1
InChI InChI=1S/C14H13NO/c15-9-5-6-12-10-3-1-2-4-11(10)14(8-16)13(12)7-9/h1-7,14,16H,8,15H2/t14-/m0/s1
InChI Key SYEYUWQQBFAPGD-AWEZNQCLSA-N
CanonicalSyTyLFy fbf7cab4d84ec894
TotalMolweight 211.263
Molecular Weight 211.263
MonoisotopicMass 211.099714
CLogP 1.724
CLogS -3.837
H Acceptors 2
H Donors 2
TotalSurfaceArea 160.65
Relative PSA 0.1766
PolarSurfaceArea 46.25
Drug-likeness -1.5942
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.07357
Molecular Complexity 0.78821
Fragments 1
Non HAtoms 16
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 1
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3
Amines 1
Aromatic Amines 1
StereoCon racemate

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