Molecule

ID:70995

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃
Molecular Mass
147.606
Exact Mass
147.05632502
Charge
0
InChI
InChI=1S/C5H9N3.ClH/c1-8-4-5(2-6)3-7-8;/h3-4H,2,6H2,1H3;1H
InChIKey
IPJABYVHNXMKEV-UHFFFAOYSA-N
Canonic Smiles
NCc1cnn(c1)C.Cl
Isomeric Smiles
C(N)c1cnn(c1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4003403
LogD (pH = 7.4)
-2.1539252
Log P
-0.4731257
Molar Refractivity
43.4348
Polarizability
12.25878
Polar Surface Area
43.84
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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