Molecule

ID:29088

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-12-4-3-5-14(10-12)16-11-13-6-8-15(17-2)9-7-13/h3-10,16H,11H2,1-2H3
InChIKey
WJBUQDJQMPWYEB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNc1cccc(c1)C
Isomeric Smiles
N(c1cc(ccc1)C)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5118475
LogD (pH = 7.4)
3.526063
Log P
3.5262473
Molar Refractivity
72.3688
Polarizability
27.219639
Polar Surface Area
21.26
Rotatable Bonds
4
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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