Molecule

ID:51272

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅Cl₂N₃
Molecular Mass
200.1094
Exact Mass
199.06430286
Charge
0
InChI
InChI=1S/C6H13N3.2ClH/c1-9-4-2-3-8-6(9)5-7;;/h2-5,7H2,1H3;2*1H
InChIKey
PSRWZACAMIOOEL-UHFFFAOYSA-N
Canonic Smiles
NCC1=NCCCN1C.Cl.Cl
Isomeric Smiles
C1(=NCCCN1C)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.348195
LogD (pH = 7.4)
-3.7484546
Log P
-1.2328937
Molar Refractivity
37.8672
Polarizability
14.440835
Polar Surface Area
41.62
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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