Molecule

ID:33138

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₂N₃O₂
Molecular Mass
304.1724
Exact Mass
303.0541321
Charge
0
InChI
InChI=1S/C12H14ClN3O2.ClH/c13-8-1-2-11-10(5-8)15-12(18-11)16-3-4-17-9(6-14)7-16;/h1-2,5,9H,3-4,6-7,14H2;1H
InChIKey
AZRNXVJTGVEUQF-UHFFFAOYSA-N
Canonic Smiles
NCC1OCCN(C1)c1nc2c(o1)ccc(c2)Cl.Cl
Isomeric Smiles
c1(nc2c(o1)ccc(c2)Cl)N1CC(OCC1)CN.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1670421
LogD (pH = 7.4)
0.07826781
Log P
1.7604867
Molar Refractivity
68.1243
Polarizability
27.538273
Polar Surface Area
64.52
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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