Molecule

ID:25280

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-2-5-13-8-10-14(11-9-13)18-12-16(19(21)22)15-6-3-4-7-17(15)20-18/h3-4,6-12H,2,5H2,1H3,(H,21,22)
InChIKey
CMIVTPBNVBBQEH-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)CCC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5732129
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.29149
LogD (pH = 7.4)
1.8680204
Log P
5.2241178
Molar Refractivity
86.2429
Polarizability
35.778015
Polar Surface Area
50.19
Rotatable Bonds
4
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