Molecule

ID:57071

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-4-7-14(8-5-11)17-10-16(19(21)22)15-9-6-12(2)13(3)18(15)20-17/h4-10H,1-3H3,(H,21,22)
InChIKey
SVNVBZSLEPTROS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1cc(C(=O)O)c2c(n1)c(C)c(cc2)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1ccc(cc1)C)C(=O)O)C)C
Calculated Properties
JChem
Acid pKa
3.6060958
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4469798
LogD (pH = 7.4)
2.0119467
Log P
5.2240057
Molar Refractivity
87.1233
Polarizability
35.61271
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
false
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