Molecule

ID:61087

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃
Molecular Mass
237.2997
Exact Mass
237.1265975
Charge
0
InChI
InChI=1S/C15H15N3/c1-11-7-8-13-14(9-11)18-15(17-13)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKey
MAXFHYBKADLJQE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)[nH]c(n2)NCc1ccccc1
Isomeric Smiles
c1(nc2c([nH]1)cc(cc2)C)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
12.615798
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.416701
LogD (pH = 7.4)
3.4671588
Log P
3.6544266
Molar Refractivity
74.2894
Polarizability
29.051458
Polar Surface Area
40.71
Rotatable Bonds
3
Lipinski's Rule of Five
true
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