Molecule

ID:19474

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-16-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h2-9H,10,15H2,1H3
InChIKey
XBKCWOTWIUGAPY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1ccccc1CN
Isomeric Smiles
c1(c2c(CN)cccc2)cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.41398746
LogD (pH = 7.4)
0.3854315
Log P
2.5885684
Molar Refractivity
66.1308
Polarizability
27.286486
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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