Molecule

ID:73378

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClN
Molecular Mass
143.614
Exact Mass
143.05017701
Charge
0
InChI
InChI=1S/C7H10ClN/c1-7(2,3)6(8)4-5-9/h4H,1-3H3
InChIKey
KCVZJFYFJKNOFD-UHFFFAOYSA-N
Canonic Smiles
N#C/C=C(/C(C)(C)C)\Cl
Isomeric Smiles
Cl/C(=C\C#N)/C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4125957
LogD (pH = 7.4)
2.4125957
Log P
2.4125957
Molar Refractivity
40.2851
Polarizability
15.056767
Polar Surface Area
23.79
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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