Molecule

ID:33520

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀Cl₂N₄O₂
Molecular Mass
359.2509
Exact Mass
358.09633126
Charge
0
InChI
InChI=1S/C15H19ClN4O2.ClH/c1-19(2)7-8-20(3)15(21)12-6-4-5-11(9-12)14-17-13(10-16)22-18-14;/h4-6,9H,7-8,10H2,1-3H3;1H
InChIKey
FHNMPULCBPVRRU-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1cccc(c1)C(=O)N(CCN(C)C)C.Cl
Isomeric Smiles
n1c(noc1CCl)c1cc(C(=O)N(CCN(C)C)C)ccc1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.69867253
LogD (pH = 7.4)
1.0840552
Log P
2.1838737
Molar Refractivity
98.17
Polarizability
32.97082
Polar Surface Area
62.47
Rotatable Bonds
6
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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