Molecule

ID:89502

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇Cl₂N₃
Molecular Mass
322.23228
Exact Mass
321.07995292
Charge
0
InChI
InChI=1S/C16H17Cl2N3/c17-14-2-1-3-15(16(14)18)21-10-8-20(9-11-21)13-6-4-12(19)5-7-13/h1-7H,8-11,19H2
InChIKey
XVUSXWLICVIRDO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1Cl)Cl
Isomeric Smiles
N1(c2c(c(ccc2)Cl)Cl)CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.703272
LogD (pH = 7.4)
4.187094
Log P
4.198693
Molar Refractivity
91.3452
Polarizability
33.7466
Polar Surface Area
32.5
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
No Data Available
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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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