Molecule

ID:120775

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h1-8H,9,12H2
InChIKey
MXKBEQMGQHQYTR-UHFFFAOYSA-N
Canonic Smiles
NCc1cccn1c1ccccc1
Isomeric Smiles
n1(c(ccc1)CN)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.7181104
LogD (pH = 7.4)
-0.1420058
Log P
1.4432
Molar Refractivity
64.1613
Polarizability
21.762333
Polar Surface Area
30.95
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
References
Bioactivity
Navigation