Molecule

ID:11080

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃
Molecular Mass
211.69126
Exact Mass
211.08762514
Charge
0
InChI
InChI=1S/C10H14ClN3/c11-9-5-6-10(13-12-9)14-7-3-1-2-4-8-14/h5-6H,1-4,7-8H2
InChIKey
SKNNHMTWELIESA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)N1CCCCCC1
Isomeric Smiles
n1c(N2CCCCCC2)ccc(n1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5972703
LogD (pH = 7.4)
2.597459
Log P
2.5974615
Molar Refractivity
61.1156
Polarizability
21.95177
Polar Surface Area
29.02
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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