Molecule

ID:16393

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c13-8-9-3-5-10(6-4-9)12-7-1-2-11(12)14/h3-6,8H,1-2,7H2
InChIKey
VADZUJOCSAESJS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)c1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0145276
LogD (pH = 7.4)
1.0145276
Log P
1.0145276
Molar Refractivity
53.5162
Polarizability
20.05633
Polar Surface Area
37.38
Rotatable Bonds
2
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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