Molecule

ID:18796

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂N
Molecular Mass
190.06976
Exact Mass
189.01120465
Charge
0
InChI
InChI=1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3
InChIKey
UJUFOUVXOUYYRG-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(c(c1)Cl)Cl)N
Isomeric Smiles
c1(cc(ccc1Cl)C(N)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.27120492
LogD (pH = 7.4)
0.60761535
Log P
2.7236786
Molar Refractivity
48.5598
Polarizability
19.299278
Polar Surface Area
26.02
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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