Molecule

ID:31328

General Information
Structure
Molecular Formula
C₁₀H₁₃ClN₂
Molecular Mass
196.67662
Exact Mass
196.07672611
Charge
0
InChI
InChI=1S/C10H13ClN2/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h3-5H,1-2,6-7,12H2
InChIKey
AURSQVBYAKAFDC-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1N1CCCC1)Cl
Isomeric Smiles
c1(N2CCCC2)c(N)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.25906
LogD (pH = 7.4)
2.262166
Log P
2.2622058
Molar Refractivity
57.5328
Polarizability
21.112185
Polar Surface Area
29.26
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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