Molecule

ID:30148

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClNO
Molecular Mass
171.6241
Exact Mass
171.04509163
Charge
0
InChI
InChI=1S/C8H10ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKey
KSHXAAXEJWSEND-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1)Cl
Isomeric Smiles
c1(Cl)ccc(cc1)OCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3389624
LogD (pH = 7.4)
-0.23332426
Log P
1.6226354
Molar Refractivity
45.2758
Polarizability
18.071033
Polar Surface Area
35.25
Rotatable Bonds
3
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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