Molecule

ID:18864

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃FN₂
Molecular Mass
216.2541232
Exact Mass
216.10627665
Charge
0
InChI
InChI=1S/C13H13FN2/c14-11-5-3-10(4-6-11)13-12-2-1-8-16(12)9-7-15-13/h1-6,8,13,15H,7,9H2
InChIKey
FAHUKNBUIVOJJR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1NCCn2c1ccc2
Isomeric Smiles
c12n(ccc2)CCNC1c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.54458284
LogD (pH = 7.4)
2.1653237
Log P
2.5105731
Molar Refractivity
61.3692
Polarizability
23.510271
Polar Surface Area
16.96
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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