Molecule
ID:123624
General Information
Molecular Formula
C₁₄H₁₄Cl₂N₄
Molecular Mass
309.19376
Exact Mass
308.05955183
Charge
0
InChI
InChI=1S/C14H14Cl2N4/c15-11-2-1-3-12(10-11)19-6-8-20(9-7-19)14-5-4-13(16)17-18-14/h1-5,10H,6-9H2
InChIKey
GSXDEMFQZHOKLD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)N1CCN(CC1)c1cccc(c1)Cl
Isomeric Smiles
N1(c2nnc(cc2)Cl)CCN(c2cc(Cl)ccc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.644602
LogD (pH = 7.4)
3.6448085
Log P
3.6448112
Molar Refractivity
85.726
Polarizability
30.887646
Polar Surface Area
32.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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