Molecule

ID:47736

General Information
Structure
Molecular Formula
C₈H₁₁ClN₂
Molecular Mass
170.63934
Exact Mass
170.06107604
Charge
0
InChI
InChI=1S/C8H11ClN2/c1-11(2)8-4-3-6(10)5-7(8)9/h3-5H,10H2,1-2H3
InChIKey
AMQHNJUMJKWREE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)N(C)C
Isomeric Smiles
c1(c(ccc(c1)N)N(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7012922
LogD (pH = 7.4)
1.8540622
Log P
1.8564084
Molar Refractivity
49.9918
Polarizability
18.157337
Polar Surface Area
29.26
Rotatable Bonds
1
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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