Molecule

ID:14209

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN₃
Molecular Mass
175.65916
Exact Mass
175.08762514
Charge
0
InChI
InChI=1S/C7H13N3.ClH/c1-4-10-6(3)7(8)5(2)9-10;/h4,8H2,1-3H3;1H
InChIKey
SRANIUDNZXPTQY-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(c(c1C)N)C.Cl
Isomeric Smiles
n1(c(c(c(n1)C)N)C)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2589052
LogD (pH = 7.4)
0.2599066
Log P
0.25991938
Molar Refractivity
54.1516
Polarizability
15.39797
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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