Molecule

ID:84026

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H10ClNO/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6H,1-2H3
InChIKey
JENFRDUXBGWJGH-UHFFFAOYSA-N
Canonic Smiles
N#CC(Oc1ccc(cc1)Cl)(C)C
Isomeric Smiles
N#CC(Oc1ccc(cc1)Cl)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9570816
LogD (pH = 7.4)
2.9570816
Log P
2.9570816
Molar Refractivity
51.5971
Polarizability
20.07761
Polar Surface Area
33.02
Rotatable Bonds
2
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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