Molecule

ID:11375

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKey
ILJVPSVCFVQUAD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N1CCCCC1
Isomeric Smiles
N1(c2ccc(C=O)cc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6289783
LogD (pH = 7.4)
2.6439638
Log P
2.6441581
Molar Refractivity
59.2126
Polarizability
21.843779
Polar Surface Area
20.31
Rotatable Bonds
2
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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