Molecule

ID:18681

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c1-11-3-2-8-14(9-11)13-6-4-12(10-15)5-7-13/h4-7,10-11H,2-3,8-9H2,1H3
InChIKey
QUJFTCQOSCFPEH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N1CCCC(C1)C
Isomeric Smiles
N1(c2ccc(C=O)cc2)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9870453
LogD (pH = 7.4)
3.0088458
Log P
3.009131
Molar Refractivity
63.6842
Polarizability
23.688477
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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