Molecule

ID:61680

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₄
Molecular Mass
272.73282
Exact Mass
272.08287412
Charge
0
InChI
InChI=1S/C14H13ClN4/c15-12-7-10-6-11(8-16)14(18-13(10)17-9-12)19-4-2-1-3-5-19/h6-7,9H,1-5H2
InChIKey
XAXJTISLOQAGJI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2cc(Cl)cnc2nc1N1CCCCC1
Isomeric Smiles
n1c(c(C#N)cc2c1ncc(c2)Cl)N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.251241
LogD (pH = 7.4)
3.251241
Log P
3.251241
Molar Refractivity
76.8057
Polarizability
28.70784
Polar Surface Area
52.81
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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