Molecule

ID:18581

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂NO
Molecular Mass
206.06916
Exact Mass
205.00611927
Charge
0
InChI
InChI=1S/C8H9Cl2NO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,3-4,11H2
InChIKey
NZWBXPGUWYWOOS-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCN)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.73491234
LogD (pH = 7.4)
0.3707537
Log P
2.22668
Molar Refractivity
50.0806
Polarizability
19.998909
Polar Surface Area
35.25
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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