Molecule

ID:78559

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKey
KLWDPIXDUVYHMS-UHFFFAOYSA-N
Canonic Smiles
CCNc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)NCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.357946
LogD (pH = 7.4)
2.4062247
Log P
2.4068766
Molar Refractivity
45.8052
Polarizability
16.998446
Polar Surface Area
12.03
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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