Molecule

ID:20129

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-4-3-5-14(11(10)2)16-13-8-6-12(15)7-9-13/h3-9H,15H2,1-2H3
InChIKey
INUXBJVAWDBGIB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1cccc(c1C)C
Isomeric Smiles
c1(c(c(ccc1)C)C)Oc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6362824
LogD (pH = 7.4)
3.6709888
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.355581
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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