Molecule
ID:125348
General Information
Molecular Formula
C₉H₁₁Cl₂N
Molecular Mass
204.09634
Exact Mass
203.02685472
Charge
0
InChI
InChI=1S/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3
InChIKey
PUFDZMUCDFIRQY-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(c(c1)Cl)Cl)N
Isomeric Smiles
Clc1ccc(CC(N)C)cc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.0056826165
LogD (pH = 7.4)
0.55925405
Log P
3.0123398
Molar Refractivity
53.3148
Polarizability
21.060904
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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