Molecule

ID:66760

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKey
HOJZEMQCQRPLQQ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(C1)c1ccccc1
Isomeric Smiles
N1C(=O)CC(C1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.721408
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.91916746
LogD (pH = 7.4)
0.91916746
Log P
0.9191675
Molar Refractivity
46.8245
Polarizability
18.172012
Polar Surface Area
29.1
Rotatable Bonds
1
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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