Molecule

ID:5155

General Information
Structure
Molecular Formula
C₁₆H₁₀N₂O₂
Molecular Mass
262.2628
Exact Mass
262.07422757
Charge
0
InChI
InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3
InChIKey
MVYDBJXCIFMINH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)N1C(=O)c2c(C1=O)c(C)ccc2
Isomeric Smiles
N#Cc1ccc(cc1)N1C(=O)c2cccc(c2C1=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.944575
LogD (pH = 7.4)
2.944575
Log P
2.944575
Molar Refractivity
74.7519
Polarizability
27.684061
Polar Surface Area
61.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.88
LOG S
-3.99
Solubility (Water)
2.69e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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