(+)Camphorquinone

CAS Number: 10373-78-1
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CC(C)(C(CC1)C2=O)C1(C)C2=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H14O2
Molecular Weight
166.219
Drug-likeness
-10.217
CAS
10373-78-1
InChI key
VNQXSTWCDUXYEZ-UHFFFAOYSA-N
SMILES
CC(C)(C(CC1)C2=O)C1(C)C2=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10373-78-1
Molecule Name (+)Camphorquinone
Molecular Formula C10H14O2
SMILES CC(C)(C(CC1)C2=O)C1(C)C2=O
InChI InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3
InChI Key VNQXSTWCDUXYEZ-UHFFFAOYSA-N
CanonicalSyTyLFy 57df3766dab948f0
TotalMolweight 166.219
Molecular Weight 166.219
MonoisotopicMass 166.09938
CLogP 1.4709
CLogS -2.104
H Acceptors 2
TotalSurfaceArea 119.62
Relative PSA 0.21802
PolarSurfaceArea 34.14
Drug-likeness -10.217
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.41667
Molecular Complexity 0.78036
Fragments 1
Non HAtoms 12
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 2
Rings Closures 2
Small Rings 3
Sp3Atoms 8
Symmetricatoms 1
StereoCon unknown chirality

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