Molecule

ID:125561

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅F₂N₃O
Molecular Mass
385.4502064
Exact Mass
385.19656888
Charge
0
InChI
InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3
InChIKey
DJXFZKXYKKBTDR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)c1cc(F)c(c(c1)F)OCCCN1CCC(C1)N(C)C
Isomeric Smiles
CN(C)C1CCN(CCCOc2c(F)cc(cc2F)c2ccc(cc2)C#N)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.068332545
LogD (pH = 7.4)
1.4710171
Log P
3.6497507
Molar Refractivity
107.282
Polarizability
41.97443
Polar Surface Area
39.5
Rotatable Bonds
7
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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