Molecule

ID:10675

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKey
PINPOEWMCLFRRB-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)Cl)N
Isomeric Smiles
c1(ccc(cc1)Cl)C(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8830049
LogD (pH = 7.4)
-0.084540226
Log P
2.119634
Molar Refractivity
43.755
Polarizability
17.394707
Polar Surface Area
26.02
Rotatable Bonds
1
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
References
Bioactivity
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