Molecule

ID:55646

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂N₃
Molecular Mass
212.1201
Exact Mass
211.06430286
Charge
0
InChI
InChI=1S/C7H13N3.2ClH/c1-3-8-6-7-9-4-5-10(7)2;;/h4-5,8H,3,6H2,1-2H3;2*1H
InChIKey
QCEMSKGFEVYKKK-UHFFFAOYSA-N
Canonic Smiles
CCNCc1nccn1C.Cl.Cl
Isomeric Smiles
c1(n(ccn1)C)CNCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.298098
LogD (pH = 7.4)
-0.6490931
Log P
0.0667751
Molar Refractivity
41.2331
Polarizability
15.950205
Polar Surface Area
29.85
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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