Molecule

ID:19862

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO
Molecular Mass
249.3071
Exact Mass
249.11536411
Charge
0
InChI
InChI=1S/C17H15NO/c1-12-6-9-17(16(18)10-12)19-15-8-7-13-4-2-3-5-14(13)11-15/h2-11H,18H2,1H3
InChIKey
BUUYFVHUURTKJI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)Oc1ccc2c(c1)cccc2
Isomeric Smiles
c1(c(cc(cc1)C)N)Oc1cc2c(cc1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.14441
LogD (pH = 7.4)
4.147466
Log P
4.1475053
Molar Refractivity
78.4906
Polarizability
31.188423
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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