Molecule

ID:113578

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃FN₂
Molecular Mass
216.2541232
Exact Mass
216.10627665
Charge
0
InChI
InChI=1S/C13H13FN2/c14-11-5-2-1-4-10(11)13-12-6-3-8-16(12)9-7-15-13/h1-6,8,13,15H,7,9H2
InChIKey
RCGRCTXPSVQZEH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C1NCCn2c1ccc2
Isomeric Smiles
c12C(c3c(F)cccc3)NCCn1ccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.06154
LogD (pH = 7.4)
2.381284
Log P
2.5105731
Molar Refractivity
61.3692
Polarizability
23.510077
Polar Surface Area
16.96
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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