Molecule

ID:10752

General Information
Structure
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
JMVIVASFFKKFQK-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1c1ccccc1
Isomeric Smiles
C1CN(C(=O)C1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3020252
LogD (pH = 7.4)
1.3020252
Log P
1.3020252
Molar Refractivity
46.9322
Polarizability
18.160732
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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