Molecule

ID:60148

General Information
Structure
MolImage
Molecular Formula
C₂₇H₂₁N
Molecular Mass
359.46234
Exact Mass
359.16739968
Charge
0
InChI
InChI=1S/C27H21N/c1-4-12-21(13-5-1)27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)25-20-28-26-19-11-10-18-24(25)26/h1-20,28H
InChIKey
REGAHGRRCZCIDN-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C(c1c[nH]c2c1cccc2)(c1ccccc1)c1ccccc1
Isomeric Smiles
c1c(c2c([nH]1)cccc2)C(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
16.0778
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
7.018476
LogD (pH = 7.4)
7.018476
Log P
7.018476
Molar Refractivity
116.0954
Polarizability
46.349503
Polar Surface Area
15.79
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