Molecule

ID:16619

General Information
Structure
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c1-11-9-13(6-5-12(11)10-15)14-7-3-2-4-8-14/h5-6,9-10H,2-4,7-8H2,1H3
InChIKey
VOTIXHXNECBHMR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1C)N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)cc(c(cc1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1342342
LogD (pH = 7.4)
3.1572776
Log P
3.1575794
Molar Refractivity
64.2538
Polarizability
23.610504
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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