Molecule

ID:35343

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClFN₂
Molecular Mass
216.6829632
Exact Mass
216.08295436
Charge
0
InChI
InChI=1S/C10H14ClFN2/c11-10-6-9(12)3-2-8(10)7-14-5-1-4-13/h2-3,6,14H,1,4-5,7,13H2
InChIKey
NGYPRJWIPUTLNJ-UHFFFAOYSA-N
Canonic Smiles
NCCCNCc1ccc(cc1Cl)F
Isomeric Smiles
c1(c(ccc(c1)F)CNCCCN)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.700015
LogD (pH = 7.4)
-1.5662166
Log P
1.5413172
Molar Refractivity
57.1424
Polarizability
22.279451
Polar Surface Area
38.05
Rotatable Bonds
5
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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