Molecule

ID:9429

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKey
RZBOMSOHMOVUES-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccccc1Cl
Isomeric Smiles
c1(c(cccc1)CCN)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0129683
LogD (pH = 7.4)
-0.23880942
Log P
1.9917201
Molar Refractivity
44.0912
Polarizability
17.320726
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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