Molecule

ID:55423

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClFN₃
Molecular Mass
295.7828632
Exact Mass
295.12515352
Charge
0
InChI
InChI=1S/C15H18FN3.ClH/c1-15(2)7-13(17)12-9-18-19(14(12)8-15)11-5-3-4-10(16)6-11;/h3-6,9,13H,7-8,17H2,1-2H3;1H
InChIKey
ZRRJEOAHFIFYTH-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)n1ncc2c1CC(C)(C)CC2N.Cl
Isomeric Smiles
C1C(Cc2c(C1N)cnn2c1cccc(c1)F)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29904518
LogD (pH = 7.4)
0.78074366
Log P
2.6674874
Molar Refractivity
74.3465
Polarizability
28.818277
Polar Surface Area
43.84
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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