Molecule

ID:63194

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c1-11-9-13(15)7-8-14(11)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey
PBIZOPYFPXOGAW-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(C(C1)C)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCC(=O)CC1C
Calculated Properties
JChem
Acid pKa
18.0134
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6878805
LogD (pH = 7.4)
2.130439
Log P
2.3141809
Molar Refractivity
61.4949
Polarizability
24.104414
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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