Molecule

ID:23935

General Information
Structure
Molecular Formula
C₇H₁₄ClN₃
Molecular Mass
175.65916
Exact Mass
175.08762514
Charge
0
InChI
InChI=1S/C7H13N3.ClH/c1-4-6-5(2)7(8)10(3)9-6;/h4,8H2,1-3H3;1H
InChIKey
LUFBUUOMYMYVNR-UHFFFAOYSA-N
Canonic Smiles
CCc1nn(c(c1C)N)C.Cl
Isomeric Smiles
c1(c(c(nn1C)CC)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9837763
LogD (pH = 7.4)
1.0065007
Log P
1.0067984
Molar Refractivity
53.1747
Polarizability
15.397035
Polar Surface Area
43.84
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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