Chemical ID: 6592419

COc1cc2c(c(c1)OC)NC(=O)C2(C(F)(F)F)O
Chemical ID:
6592419
Name [?]:
3-hydroxy-5,7-dimethoxy-3-(trifluoromethyl)indolin-2-one
SMILES [?]:
COc1cc2c(c(c1)OC)NC(=O)C2(C(F)(F)F)O
InChi [?]:
InChI=1/C11H10F3NO4/c1-18-5-3-6-8(7(4-5)19-2)15-9(16)10(6,17)11(12,13)14/h3-4,17H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,4,8,3,5,7,6,12,14,15,16,17,18,11,13,19,2,9/E:(12,13,14)/rA:19cCOCCCCCCOCNCOCCFFFO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s5s12;s14;s15;s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F3NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.06324
Area:397.792
Solvation:-4.88155
Coulombic:-70.4812
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.197
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.57
LogP (Chemaxon):1.07

Name Annotations

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Descriptor Annotations

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