Molecule

ID:20362

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-10-5-4-6-15(12(10)3)17-14-8-7-13(16)9-11(14)2/h4-9H,16H2,1-3H3
InChIKey
LBULBSCKXRAFKY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)Oc1cccc(c1C)C
Isomeric Smiles
c1(Oc2c(cc(N)cc2)C)c(c(ccc1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.124
LogD (pH = 7.4)
4.1840487
Log P
4.184871
Molar Refractivity
72.1228
Polarizability
27.122972
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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