Molecule

ID:124790

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClF₃N₂O
Molecular Mass
310.7430296
Exact Mass
310.10597555
Charge
0
InChI
InChI=1S/C13H17F3N2O.ClH/c14-13(15,16)19-12-3-1-2-10(8-12)9-18-6-4-11(17)5-7-18;/h1-3,8,11H,4-7,9,17H2;1H
InChIKey
NULCGUXRAZYPQN-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1cccc(c1)OC(F)(F)F.Cl
Isomeric Smiles
C(Oc1cc(CN2CCC(CC2)N)ccc1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4112837
LogD (pH = 7.4)
-0.47834083
Log P
2.556932
Molar Refractivity
63.0528
Polarizability
25.44281
Polar Surface Area
38.49
Rotatable Bonds
4
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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