Molecule

ID:20536

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-4-3-5-12(8-10)16-13-6-7-14(15)11(2)9-13/h3-9H,15H2,1-2H3
InChIKey
GMLXWZIGMCJXGD-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)Oc1ccc(c(c1)C)N
Isomeric Smiles
c1(c(ccc(c1)Oc1cc(ccc1)C)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6467683
LogD (pH = 7.4)
3.6711302
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.354895
Polar Surface Area
35.25
Rotatable Bonds
2
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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