Molecule

ID:15992

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClFN₂O
Molecular Mass
244.6930632
Exact Mass
244.07786898
Charge
0
InChI
InChI=1S/C11H13FN2O.ClH/c12-10-3-1-2-9(8-15)11(10)14-6-4-13-5-7-14;/h1-3,8,13H,4-7H2;1H
InChIKey
NDLJCBIRQSVWQP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1N1CCNCC1)F.Cl
Isomeric Smiles
C(=O)c1c(c(ccc1)F)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4930815
LogD (pH = 7.4)
0.12986223
Log P
1.4005656
Molar Refractivity
58.0424
Polarizability
21.201624
Polar Surface Area
32.34
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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