Molecule

ID:124961

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂
Molecular Mass
194.66074
Exact Mass
194.06107604
Charge
0
InChI
InChI=1S/C10H11ClN2/c11-9-2-1-3-10-8(9)4-6-13(10)7-5-12/h1-4,6H,5,7,12H2
InChIKey
VRXMBSSOAFZXHS-UHFFFAOYSA-N
Canonic Smiles
NCCn1ccc2c1cccc2Cl
Isomeric Smiles
c12ccn(c1cccc2Cl)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9008877
LogD (pH = 7.4)
-0.114019886
Log P
2.1027448
Molar Refractivity
54.7958
Polarizability
22.55377
Polar Surface Area
30.95
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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