Molecule

ID:19906

General Information
Structure
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-10-4-6-12(3)14(8-10)17-15-9-11(2)5-7-13(15)16/h4-9H,16H2,1-3H3
InChIKey
NOWZDZVCLWIVOI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1cc(C)ccc1N)C
Isomeric Smiles
c1(Oc2c(ccc(c2)C)C)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1800523
LogD (pH = 7.4)
4.18481
Log P
4.184871
Molar Refractivity
72.1228
Polarizability
27.12296
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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