Molecule

ID:19934

General Information
Structure
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)16-14-9-11(2)5-8-13(14)15/h3-9H,15H2,1-2H3
InChIKey
AJDAYBJGPWDQIR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2ccc(cc2)C)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6669376
LogD (pH = 7.4)
3.6713927
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.355412
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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