Molecule

ID:45116

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO
Molecular Mass
157.59752
Exact Mass
157.02944156
Charge
0
InChI
InChI=1S/C7H8ClNO/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
BWCOLJNFJZDWEF-UHFFFAOYSA-N
Canonic Smiles
COc1ncccc1CCl
Isomeric Smiles
c1(c(CCl)cccn1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7789419
LogD (pH = 7.4)
1.7795935
Log P
1.7796017
Molar Refractivity
40.5447
Polarizability
15.628751
Polar Surface Area
22.12
Rotatable Bonds
2
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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