Molecule

ID:19854

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-3-6-12(7-4-10)16-14-8-5-11(2)9-13(14)15/h3-9H,15H2,1-2H3
InChIKey
WJTNFYVTKDOHLI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Oc1ccc(cc1N)C
Isomeric Smiles
c1(c(cc(cc1)C)N)Oc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.66848
LogD (pH = 7.4)
3.6714122
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.355692
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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