Molecule

ID:81771

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆Cl₂N₄O
Molecular Mass
387.26254
Exact Mass
386.07011651
Charge
0
InChI
InChI=1S/C19H16Cl2N4O/c20-14-5-3-4-13(12-14)19(26)25-10-8-24(9-11-25)18-17(21)22-15-6-1-2-7-16(15)23-18/h1-7,12H,8-11H2
InChIKey
ACEILHGSIKKVNF-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(=O)N1CCN(CC1)c1nc2ccccc2nc1Cl
Isomeric Smiles
n1c(c(nc2c1cccc2)Cl)N1CCN(C(=O)c2cccc(c2)Cl)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.3579354
LogD (pH = 7.4)
4.358033
Log P
4.3580346
Molar Refractivity
103.8552
Polarizability
40.06943
Polar Surface Area
49.33
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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