Molecule

ID:30003

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃O
Molecular Mass
264.1516
Exact Mass
263.05921748
Charge
0
InChI
InChI=1S/C10H13N3O.2ClH/c1-7-12-9-6-8(11)2-3-10(9)13(7)4-5-14;;/h2-3,6,14H,4-5,11H2,1H3;2*1H
InChIKey
AALPPQSRSOXVLR-UHFFFAOYSA-N
Canonic Smiles
OCCn1c(C)nc2c1ccc(c2)N.Cl.Cl
Isomeric Smiles
n1c(n(c2c1cc(cc2)N)CCO)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.456663
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2709416
LogD (pH = 7.4)
-0.3299662
Log P
0.08721683
Molar Refractivity
55.2986
Polarizability
21.76201
Polar Surface Area
64.07
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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