Molecule

ID:25347

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-4-7-17-15(8-11)16(19(21)22)10-18(20-17)14-6-5-12(2)13(3)9-14/h4-10H,1-3H3,(H,21,22)
InChIKey
HAASHOWNRBQQMV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1ccc(c(c1)C)C)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)c1cc(c(cc1)C)C)ccc(c2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5891669
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.441601
LogD (pH = 7.4)
2.0100179
Log P
5.361823
Molar Refractivity
87.1233
Polarizability
35.612793
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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