Molecule

ID:67001

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃Cl₂N₃
Molecular Mass
210.10422
Exact Mass
209.04865279
Charge
0
InChI
InChI=1S/C7H11N3.2ClH/c1-10-5-6-4-8-3-2-7(6)9-10;;/h5,8H,2-4H2,1H3;2*1H
InChIKey
ABBAYPXCQSWDQG-UHFFFAOYSA-N
Canonic Smiles
Cn1cc2c(n1)CCNC2.Cl.Cl
Isomeric Smiles
C1c2c(CCN1)nn(c2)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8578124
LogD (pH = 7.4)
-1.2301838
Log P
0.029166631
Molar Refractivity
50.9412
Polarizability
15.13256
Polar Surface Area
29.85
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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