Molecule

ID:71812

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂ClN₃
Molecular Mass
173.64328
Exact Mass
173.07197508
Charge
0
InChI
InChI=1S/C7H11N3.ClH/c1-6(10-8)7-2-4-9-5-3-7;/h2-6,10H,8H2,1H3;1H
InChIKey
LNZINZPHWJDRKJ-UHFFFAOYSA-N
Canonic Smiles
NNC(c1ccncc1)C.Cl
Isomeric Smiles
n1ccc(cc1)C(NN)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.092719264
LogD (pH = 7.4)
0.10997681
Log P
0.11326144
Molar Refractivity
51.7702
Polarizability
15.965659
Polar Surface Area
50.94
Rotatable Bonds
2
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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