Molecule

ID:62616

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁F₃N₄O₃
Molecular Mass
362.3474496
Exact Mass
362.15657521
Charge
0
InChI
InChI=1S/C13H20N4O.C2HF3O2/c1-17(2)12(18)13(6-7-16-13)5-3-4-11-10-14-8-9-15-11;3-2(4,5)1(6)7/h8-10,16H,3-7H2,1-2H3;(H,6,7)
InChIKey
FQOSPKLBVDEAQL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.CN(C(=O)C1(CCCc2cnccn2)CCN1)C
Isomeric Smiles
C(=O)(C1(NCC1)CCCc1nccnc1)N(C)C.O=C(O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.714528
LogD (pH = 7.4)
-2.5448766
Log P
-0.5572939
Molar Refractivity
68.832
Polarizability
27.041185
Polar Surface Area
58.12
Rotatable Bonds
6
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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