Molecule

ID:128221

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO
Molecular Mass
267.36544
Exact Mass
267.1623143
Charge
0
InChI
InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3
InChIKey
FEIWNULTQYHCDN-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC
Isomeric Smiles
CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5355997
LogD (pH = 7.4)
5.536946
Log P
5.536963
Molar Refractivity
86.695
Polarizability
32.315544
Polar Surface Area
21.59
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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