Molecule

ID:19940

General Information
Structure
Molecular Formula
C₁₇H₁₅NO
Molecular Mass
249.3071
Exact Mass
249.11536411
Charge
0
InChI
InChI=1S/C17H15NO/c1-12-9-10-15(18)17(11-12)19-16-8-4-6-13-5-2-3-7-14(13)16/h2-11H,18H2,1H3
InChIKey
INWVWUGIXBDTNM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1cccc2c1cccc2)N
Isomeric Smiles
c1(Oc2c3c(ccc2)cccc3)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.142779
LogD (pH = 7.4)
4.147445
Log P
4.1475053
Molar Refractivity
78.4906
Polarizability
31.192308
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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