Molecule

ID:58262

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKey
ORPHOKOVVUFNKE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)N1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8154466
LogD (pH = 7.4)
1.8154466
Log P
1.8154466
Molar Refractivity
51.9734
Polarizability
19.92579
Polar Surface Area
20.31
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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