Molecule

ID:68538

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c15-13-7-4-9-14(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKey
RRVIUDRKTCAHQZ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(CCC(=O)CCC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
18.214287
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.12319495
LogD (pH = 7.4)
1.7889317
Log P
2.1862671
Molar Refractivity
61.8311
Polarizability
24.104416
Polar Surface Area
20.31
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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