Molecule

ID:18288

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey
LMBUJNXYGGNSAH-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)Cl
Isomeric Smiles
c1(Cl)ccc(cc1)CNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.042413
LogD (pH = 7.4)
0.024476696
Log P
2.1356394
Molar Refractivity
44.1108
Polarizability
17.395117
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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