Molecule

ID:55043

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂N₃
Molecular Mass
288.21606
Exact Mass
287.09560298
Charge
0
InChI
InChI=1S/C13H17N3.2ClH/c1-10(2)13-15-6-7-16(13)9-11-4-3-5-12(14)8-11;;/h3-8,10H,9,14H2,1-2H3;2*1H
InChIKey
ASCMEIMDCMKACT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)Cn1ccnc1C(C)C.Cl.Cl
Isomeric Smiles
n1(c(ncc1)C(C)C)Cc1cc(N)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3449796
LogD (pH = 7.4)
2.192368
Log P
2.340586
Molar Refractivity
66.8646
Polarizability
25.09444
Polar Surface Area
43.84
Rotatable Bonds
3
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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