Molecule

ID:71014

General Information
Structure
Molecular Formula
C₈H₁₁ClN₂
Molecular Mass
170.63934
Exact Mass
170.06107604
Charge
0
InChI
InChI=1S/C8H10N2.ClH/c1-3-9-5-8-6-10-4-2-7(1)8;/h1,3,5,10H,2,4,6H2;1H
InChIKey
WRARFMNQYDXJET-UHFFFAOYSA-N
Canonic Smiles
N1CCc2c(C1)cncc2.Cl
Isomeric Smiles
C1NCCc2ccncc12.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6537337
LogD (pH = 7.4)
-1.1284887
Log P
0.35381073
Molar Refractivity
40.4587
Polarizability
15.675962
Polar Surface Area
24.92
Rotatable Bonds
0
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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