Molecule

ID:20546

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO
Molecular Mass
275.34438
Exact Mass
275.13101417
Charge
0
InChI
InChI=1S/C19H17NO/c1-14-13-18(11-12-19(14)20)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,20H2,1H3
InChIKey
HKSGSPNLRAOKHO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c(ccc(c1)Oc1ccc(c2ccccc2)cc1)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7806654
LogD (pH = 7.4)
4.8049355
Log P
4.805254
Molar Refractivity
87.1766
Polarizability
34.651688
Polar Surface Area
35.25
Rotatable Bonds
3
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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