Molecule

ID:5766

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₅
Molecular Mass
235.6729
Exact Mass
235.06247303
Charge
0
InChI
InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3
InChIKey
HFTLYNKTSANXFA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn2c1nc(Cl)cc2NC(C)C
Isomeric Smiles
CC(C)Nc1cc(Cl)nc2c(C#N)cnn12
Calculated Properties
JChem
Polar Surface Area
66.01
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6687398
LogD (pH = 7.4)
1.6687428
Log P
1.6687428
Molar Refractivity
73.9758
Polarizability
22.88173
ALOGPS 2.1
Solubility (Water)
1.18e-01 g/l
Log P
2.04
LOG S
-3.3
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