Molecule

ID:14259

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂
Molecular Mass
248.32234
Exact Mass
248.13134852
Charge
0
InChI
InChI=1S/C17H16N2/c1-2-9-16-14(6-1)13-7-3-8-15(13)17(19-16)12-5-4-10-18-11-12/h1-7,9-11,13,15,17,19H,8H2
InChIKey
XHRJZONPWDDNHS-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)C1Nc2ccccc2C2C1CC=C2
Isomeric Smiles
C1(C2C(c3c(N1)cccc3)C=CC2)c1cccnc1
Calculated Properties
JChem
Acid pKa
18.658722
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.697963
LogD (pH = 7.4)
2.7669895
Log P
2.767962
Molar Refractivity
79.2239
Polarizability
29.551315
Polar Surface Area
24.92
Rotatable Bonds
1
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