Molecule
ID:92357
General Information
Molecular Formula
C₁₈H₁₅N
Molecular Mass
245.3184
Exact Mass
245.12044949
Charge
0
InChI
InChI=1S/C18H15N/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-13H,19H2
InChIKey
SGNQTSWLIUHTQZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)c1ccccc1)c1ccccc1
Isomeric Smiles
Nc1cc(c(cc1)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.420599
LogD (pH = 7.4)
4.438537
Log P
4.438771
Molar Refractivity
81.0308
Polarizability
33.736412
Polar Surface Area
26.02
Rotatable Bonds
2
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...