Molecule

ID:39955

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClN
Molecular Mass
167.6354
Exact Mass
167.05017701
Charge
0
InChI
InChI=1S/C9H10ClN/c1-6-5-9(10)11-8-4-2-3-7(6)8/h5H,2-4H2,1H3
InChIKey
JOJFZYVLQKMUQD-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c2c(n1)CCC2
Isomeric Smiles
n1c2c(c(cc1Cl)C)CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9740176
LogD (pH = 7.4)
2.974808
Log P
2.9748182
Molar Refractivity
47.2658
Polarizability
17.757214
Polar Surface Area
12.89
Rotatable Bonds
0
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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