Molecule

ID:28295

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₂
Molecular Mass
279.33308
Exact Mass
279.12592879
Charge
0
InChI
InChI=1S/C18H17NO2/c1-12-13(2)19(11-14-6-4-3-5-7-14)17-9-8-15(18(20)21)10-16(12)17/h3-10H,11H2,1-2H3,(H,20,21)
InChIKey
HLVAZMLZZGYECV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccccc1)C
Isomeric Smiles
n1(c(c(c2c1ccc(c2)C(=O)O)C)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.9743087
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.85656
LogD (pH = 7.4)
1.2171026
Log P
4.3907228
Molar Refractivity
84.1009
Polarizability
32.77155
Polar Surface Area
42.23
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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