Molecule

ID:10676

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey
SRXFXCKTIGELTI-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1)CCN)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.017461
LogD (pH = 7.4)
-0.3024305
Log P
1.9917201
Molar Refractivity
44.0912
Polarizability
17.317371
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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