Molecule

ID:53608

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉Cl₃N₄O
Molecular Mass
377.69656
Exact Mass
376.06244429
Charge
0
InChI
InChI=1S/C15H17ClN4O.2ClH/c1-19(2)8-5-9-20-11-6-3-4-7-13(11)21-15-12(20)10-14(16)17-18-15;;/h3-4,6-7,10H,5,8-9H2,1-2H3;2*1H
InChIKey
KXFCHXPKCTXPQL-UHFFFAOYSA-N
Canonic Smiles
CN(CCCN1c2ccccc2Oc2c1cc(Cl)nn2)C.Cl.Cl
Isomeric Smiles
N1(c2c(Oc3c1cccc3)nnc(c2)Cl)CCCN(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.8236027
LogD (pH = 7.4)
0.66837174
Log P
2.4637303
Molar Refractivity
86.3942
Polarizability
31.965483
Polar Surface Area
41.49
Rotatable Bonds
4
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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