Molecule
ID:119997
General Information
Molecular Formula
C₁₆H₁₃NO₃
Molecular Mass
267.27932
Exact Mass
267.08954328
Charge
0
InChI
InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
InChIKey
PNOHRUSRGMQJPS-CQSZACIVSA-N
Canonic Smiles
OC(=O)[C@H](N1Cc2c(C1=O)cccc2)c1ccccc1
Isomeric Smiles
N1(C(=O)c2c(C1)cccc2)[C@@H](C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.560486
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5034204
LogD (pH = 7.4)
-0.91954684
Log P
2.4368782
Molar Refractivity
73.9269
Polarizability
28.055796
Polar Surface Area
57.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...