Molecule

ID:30673

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁Cl₂N₃O₂
Molecular Mass
370.27354
Exact Mass
369.10108229
Charge
0
InChI
InChI=1S/C17H19N3O2.2ClH/c1-12-19-16-4-2-3-5-17(16)20(12)10-14(21)11-22-15-8-6-13(18)7-9-15;;/h2-9,14,21H,10-11,18H2,1H3;2*1H
InChIKey
KXGNBESQZSHHSH-UHFFFAOYSA-N
Canonic Smiles
OC(Cn1c(C)nc2c1cccc2)COc1ccc(cc1)N.Cl.Cl
Isomeric Smiles
n1(c(nc2c1cccc2)C)CC(COc1ccc(N)cc1)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.979139
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0020705
LogD (pH = 7.4)
1.7664893
Log P
1.7910335
Molar Refractivity
85.521
Polarizability
33.888714
Polar Surface Area
73.3
Rotatable Bonds
5
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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