Molecule

ID:24057

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN₃
Molecular Mass
175.65916
Exact Mass
175.08762514
Charge
0
InChI
InChI=1S/C7H13N3.ClH/c1-4-6-5(2)9-10(3)7(6)8;/h4,8H2,1-3H3;1H
InChIKey
QBDLYTCJNXQBDN-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)nn(c1N)C.Cl
Isomeric Smiles
c1(c(c(nn1C)C)CC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7240343
LogD (pH = 7.4)
0.75048333
Log P
0.7508311
Molar Refractivity
53.1488
Polarizability
15.396774
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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