Molecule

ID:57392

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-2-10-8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKey
LUNFYXBUYWMPBY-UHFFFAOYSA-N
Canonic Smiles
CCNc1cccc(c1)Cl
Isomeric Smiles
c1ccc(cc1NCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3735297
LogD (pH = 7.4)
2.4064403
Log P
2.4068766
Molar Refractivity
45.8052
Polarizability
17.010923
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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