Molecule

ID:9347

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂N
Molecular Mass
190.06976
Exact Mass
189.01120465
Charge
0
InChI
InChI=1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
InChIKey
ACIMQXSSGMWVKG-UHFFFAOYSA-N
Canonic Smiles
NCCc1c(Cl)cccc1Cl
Isomeric Smiles
c1c(c(c(cc1)Cl)CCN)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.40304792
LogD (pH = 7.4)
0.43712732
Log P
2.5957649
Molar Refractivity
48.896
Polarizability
19.199385
Polar Surface Area
26.02
Rotatable Bonds
2
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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