Chemical ID: 7441492

CC(=C1C(=NC(=NC1=O)O)O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
7441492
Name [?]:
2,6-dihydroxy-5-[1-[3-(trifluoromethyl)phenyl]aminoethylidene]pyrimidin-4-one
SMILES [?]:
CC(=C1C(=NC(=NC1=O)O)O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C13H10F3N3O3/c1-6(9-10(20)18-12(22)19-11(9)21)17-8-4-2-3-7(5-8)13(14,15)16/h2-5,17H,1H3,(H2,18,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,18,2,17,13,3,4,8,6,19,20,21,22,12,5,7,11,9,10/E:(10,11)(14,15,16)(18,19)(20,21)/rA:22nCCCCNCNCOOONCCCCCCCFFF/rB:s1;w2;s3;d4;s5;d6;s3s7;d8;s6;s4;s2;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10F3N3O3
All Atoms:32
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.94705
Area:455.273
Solvation:-3.43478
Coulombic:-84.7354
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:313.232
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.72
LogP (Chemaxon):1.84

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