Molecule

ID:18475

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
InChIKey
POEANWWEPFQEEF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)c(cc1N)C
Isomeric Smiles
Nc1c(cc(c(c1)C)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7693737
LogD (pH = 7.4)
2.7751334
Log P
2.7752073
Molar Refractivity
45.6456
Polarizability
16.844164
Polar Surface Area
26.02
Rotatable Bonds
0
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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