Molecule

ID:59473

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c15-11-13-7-3-2-6-12(13)10-14-8-4-1-5-9-14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKey
DPHAEHVTAXKZRA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1CN1CCCCC1
Isomeric Smiles
N1(Cc2c(C=O)cccc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.118562736
LogD (pH = 7.4)
1.6549555
Log P
2.4775112
Molar Refractivity
63.3267
Polarizability
24.082447
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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