Molecule

ID:55996

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO
Molecular Mass
237.2964
Exact Mass
237.11536411
Charge
0
InChI
InChI=1S/C16H15NO/c1-17-15-5-3-2-4-13(15)7-8-14-10-12(11-18)6-9-16(14)17/h2-6,9-11H,7-8H2,1H3
InChIKey
SFMUVVDAWXLPFT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)CCc1c(N2C)cccc1
Isomeric Smiles
N1(c2c(cc(C=O)cc2)CCc2c1cccc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.912466
LogD (pH = 7.4)
3.9124668
Log P
3.9124668
Molar Refractivity
74.3051
Polarizability
27.61213
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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