Molecule

ID:59474

General Information
Structure
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,11H,1-3,8-10H2
InChIKey
WWBOSCKXPMBVLG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)CN1CCCCC1
Isomeric Smiles
N1(Cc2ccc(C=O)cc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.23121716
LogD (pH = 7.4)
1.5410537
Log P
2.4775112
Molar Refractivity
63.3267
Polarizability
24.082071
Polar Surface Area
20.31
Rotatable Bonds
3
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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