Molecule

ID:55744

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂N₃
Molecular Mass
212.1201
Exact Mass
211.06430286
Charge
0
InChI
InChI=1S/C7H13N3.2ClH/c1-10-6-5-9-7(10)3-2-4-8;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKey
FDTGOPLTBXDQLC-UHFFFAOYSA-N
Canonic Smiles
NCCCc1nccn1C.Cl.Cl
Isomeric Smiles
n1(c(ncc1)CCCN)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2086635
LogD (pH = 7.4)
-2.884884
Log P
-0.19693932
Molar Refractivity
41.1643
Polarizability
15.874119
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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