Molecule

ID:95242

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClFN₃
Molecular Mass
285.7880432
Exact Mass
285.14080359
Charge
0
InChI
InChI=1S/C14H21ClFN3/c15-13-3-1-4-14(16)12(13)11-19-9-7-18(8-10-19)6-2-5-17/h1,3-4H,2,5-11,17H2
InChIKey
CEOASWXTZYXWTP-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCN(CC1)Cc1c(F)cccc1Cl
Isomeric Smiles
N1(Cc2c(cccc2F)Cl)CCN(CC1)CCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7781744
LogD (pH = 7.4)
-0.9615006
Log P
1.7714847
Molar Refractivity
78.4872
Polarizability
30.434359
Polar Surface Area
32.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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