Molecule

ID:58490

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-12(20)19-17-4-2-16(3-5-17)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKey
ZVJQMQNYDNEXKB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C3)C2)c1ccc(cc1)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.616001
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.559598
LogD (pH = 7.4)
3.559598
Log P
3.559598
Molar Refractivity
81.6291
Polarizability
31.366573
Polar Surface Area
29.1
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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