Molecule

ID:9431

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChIKey
NRHVNPYOTNGECT-UHFFFAOYSA-N
Canonic Smiles
NCCc1cccc(c1)Cl
Isomeric Smiles
c1c(cccc1Cl)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0166552
LogD (pH = 7.4)
-0.29035562
Log P
1.9917201
Molar Refractivity
44.0912
Polarizability
17.32006
Polar Surface Area
26.02
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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