Molecule

ID:73642

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,16)(H,17,18)
InChIKey
SVTCQQLUAZIZIW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1n[nH]c(c1)c1cccc2c1cccc2
Isomeric Smiles
n1c(cc(c2cccc3ccccc23)[nH]1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4896681
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.87244946
LogD (pH = 7.4)
-0.501708
Log P
2.8775663
Molar Refractivity
68.0935
Polarizability
27.971756
Polar Surface Area
65.98
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation