Molecule

ID:14489

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂
Molecular Mass
158.62864
Exact Mass
158.06107604
Charge
0
InChI
InChI=1S/C7H11ClN2/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4H2,1-2H3
InChIKey
ZJGHDGBFXNKMPW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nn1CCCl)C
Isomeric Smiles
n1(c(cc(n1)C)C)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3935415
LogD (pH = 7.4)
1.3964895
Log P
1.3965272
Molar Refractivity
54.0459
Polarizability
16.098536
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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