Molecule

ID:15370

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFNO
Molecular Mass
203.6411432
Exact Mass
203.05131988
Charge
0
InChI
InChI=1S/C9H11ClFNO/c1-12-4-5-13-9-6-7(11)2-3-8(9)10/h2-3,6,12H,4-5H2,1H3
InChIKey
BPYCBSLWOMFBPW-UHFFFAOYSA-N
Canonic Smiles
CNCCOc1cc(F)ccc1Cl
Isomeric Smiles
c1(cc(ccc1Cl)F)OCCNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9655547
LogD (pH = 7.4)
0.17623486
Log P
2.1979177
Molar Refractivity
50.2668
Polarizability
19.644184
Polar Surface Area
21.26
Rotatable Bonds
4
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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