Molecule

ID:128900

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄F₂N₂O
Molecular Mass
322.3927664
Exact Mass
322.18566984
Charge
0
InChI
InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)
InChIKey
SXMBKHYDZOCBMT-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)C1CC(C1)(F)c1ccc(c(c1)F)CN1CCCC1
Isomeric Smiles
C1CCCN1Cc1ccc(cc1F)C1(F)CC(C1)C(=O)NCC
Calculated Properties
JChem
Acid pKa
14.02735
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.24836373
LogD (pH = 7.4)
1.5254929
Log P
2.4170718
Molar Refractivity
86.8911
Polarizability
33.064808
Polar Surface Area
32.34
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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