Molecule

ID:62438

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClFN₄
Molecular Mass
258.7229432
Exact Mass
258.10475243
Charge
0
InChI
InChI=1S/C11H15FN4.ClH/c12-9-3-1-2-4-10(9)15-5-7-16(8-6-15)11(13)14;/h1-4H,5-8H2,(H3,13,14);1H
InChIKey
ZEWCMGIFPNFICG-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCN(CC1)c1ccccc1F.Cl
Isomeric Smiles
C(=N)(N1CCN(c2c(F)cccc2)CC1)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.231737
LogD (pH = 7.4)
-1.2291028
Log P
1.1836882
Molar Refractivity
72.6931
Polarizability
22.627695
Polar Surface Area
56.35
Rotatable Bonds
1
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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