Molecule

ID:25344

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-11-4-3-5-13(8-11)17-10-15(18(20)21)14-9-12(2)6-7-16(14)19-17/h3-10H,1-2H3,(H,20,21)
InChIKey
ZXGZEUFDNJSZPW-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1nc2ccc(cc2c(c1)C(=O)O)C
Isomeric Smiles
c1(c2c(nc(c1)c1cc(ccc1)C)ccc(c2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5870898
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9281464
LogD (pH = 7.4)
1.4965765
Log P
4.848402
Molar Refractivity
82.0821
Polarizability
33.849064
Polar Surface Area
50.19
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