Molecule

ID:40473

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄Cl₂N₄O
Molecular Mass
325.19316
Exact Mass
324.05446645
Charge
0
InChI
InChI=1S/C14H14Cl2N4O/c15-10-2-1-3-11(8-10)20-14(21)13(16)12(9-18-20)19-6-4-17-5-7-19/h1-3,8-9,17H,4-7H2
InChIKey
HRFUXANQSXGEEG-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)n1ncc(c(c1=O)Cl)N1CCNCC1
Isomeric Smiles
c1(c(=O)n(ncc1N1CCNCC1)c1cc(Cl)ccc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0359557
LogD (pH = 7.4)
0.45467934
Log P
1.9891869
Molar Refractivity
84.6809
Polarizability
31.709349
Polar Surface Area
47.94
Rotatable Bonds
2
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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