Molecule

ID:34492

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-11-3-2-4-14(9-11)16-13-7-5-12(10-15)6-8-13/h2-9H,10,15H2,1H3
InChIKey
LCTHKXNDILXRIZ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)Oc1cccc(c1)C
Isomeric Smiles
c1cc(cc(c1)C)Oc1ccc(cc1)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.12693062
LogD (pH = 7.4)
1.0825939
Log P
3.1127229
Molar Refractivity
65.8134
Polarizability
25.83386
Polar Surface Area
35.25
Rotatable Bonds
3
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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