Molecule

ID:19344

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅FN₂
Molecular Mass
182.2379032
Exact Mass
182.12192671
Charge
0
InChI
InChI=1S/C10H15FN2/c1-13(2)10(7-12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3
InChIKey
JDBOOJQLAVTZQE-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccc(c1)F)N(C)C
Isomeric Smiles
c1(C(N(C)C)CN)cc(F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4460356
LogD (pH = 7.4)
-0.33637714
Log P
1.3201277
Molar Refractivity
52.4371
Polarizability
20.390686
Polar Surface Area
29.26
Rotatable Bonds
3
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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