Molecule

ID:80903

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₄
Molecular Mass
276.76458
Exact Mass
276.11417424
Charge
0
InChI
InChI=1S/C14H17ClN4/c15-13-9-12(18-5-1-2-6-18)11(10-16)14(17-13)19-7-3-4-8-19/h9H,1-8H2
InChIKey
LMWHGSOTPHQWFJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cc(nc1N1CCCC1)Cl)N1CCCC1
Isomeric Smiles
n1c(c(c(cc1Cl)N1CCCC1)C#N)N1CCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0572672
LogD (pH = 7.4)
3.058022
Log P
3.0580316
Molar Refractivity
79.7415
Polarizability
28.75906
Polar Surface Area
43.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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