Molecule

ID:24668

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-2-12-7-9-13(10-8-12)17-11-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-11H,2H2,1H3,(H,20,21)
InChIKey
RETVXMLZGMOFQA-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)CC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5732613
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8469224
LogD (pH = 7.4)
1.4234523
Log P
4.779549
Molar Refractivity
81.6419
Polarizability
33.93113
Polar Surface Area
50.19
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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