Molecule

ID:15846

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂N₃
Molecular Mass
212.1201
Exact Mass
211.06430286
Charge
0
InChI
InChI=1S/C7H13N3.2ClH/c1-4(8)7-5(2)9-10-6(7)3;;/h4H,8H2,1-3H3,(H,9,10);2*1H
InChIKey
AUVXTOOOKPSVBA-UHFFFAOYSA-N
Canonic Smiles
CC(c1c(C)n[nH]c1C)N.Cl.Cl
Isomeric Smiles
c1(c(n[nH]c1C)C)C(N)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.020744
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.82022
LogD (pH = 7.4)
-1.761823
Log P
0.15070476
Molar Refractivity
42.3788
Polarizability
15.863379
Polar Surface Area
54.7
Rotatable Bonds
1
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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