Molecule

ID:16131

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-15-7-6-13-8-10(9-14)11-4-2-3-5-12(11)13/h2-5,8-9H,6-7H2,1H3
InChIKey
WHEOMQTYIHCDTQ-UHFFFAOYSA-N
Canonic Smiles
COCCn1cc(c2c1cccc2)C=O
Isomeric Smiles
c1(cn(c2c1cccc2)CCOC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9612107
LogD (pH = 7.4)
1.9612107
Log P
1.9612107
Molar Refractivity
59.6687
Polarizability
23.581211
Polar Surface Area
31.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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