Molecule

ID:33141

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₂N₃O
Molecular Mass
288.173
Exact Mass
287.05921748
Charge
0
InChI
InChI=1S/C12H14ClN3O.ClH/c13-8-1-2-10-11(7-8)17-12(15-10)16-5-3-9(14)4-6-16;/h1-2,7,9H,3-6,14H2;1H
InChIKey
IPGBVEUOSAITPV-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)c1nc2c(o1)cc(cc2)Cl.Cl
Isomeric Smiles
c1(nc2c(o1)cc(cc2)Cl)N1CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.092084
LogD (pH = 7.4)
-0.5578144
Log P
1.9273818
Molar Refractivity
66.8116
Polarizability
26.831102
Polar Surface Area
55.29
Rotatable Bonds
1
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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