Molecule

ID:117130

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₄O
Molecular Mass
290.7481
Exact Mass
290.0934388
Charge
0
InChI
InChI=1S/C14H15ClN4O/c1-4-5-10-16-8(2)12-13(15)17-9-6-7-11(20-3)18-14(9)19(10)12/h6-7H,4-5H2,1-3H3
InChIKey
RDSMQQKJOUZUMB-UHFFFAOYSA-N
Canonic Smiles
CCCc1nc(c2n1c1nc(OC)ccc1nc2Cl)C
Isomeric Smiles
n12c(c(nc3c1nc(cc3)OC)Cl)c(nc2CCC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7230726
LogD (pH = 7.4)
2.385697
Log P
2.4087987
Molar Refractivity
78.8341
Polarizability
30.691872
Polar Surface Area
52.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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