Chemical ID: 6560128

c1c2c(cc3c1OCCO3)NC(=O)C2(C(F)(F)F)O
Chemical ID:
6560128
Name [?]:
None
SMILES [?]:
c1c2c(cc3c1OCCO3)NC(=O)C2(C(F)(F)F)O
InChi [?]:
InChI=1/C11H8F3NO4/c12-11(13,14)10(17)5-3-7-8(19-2-1-18-7)4-6(5)15-9(10)16/h3-4,17H,1-2H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:8,9,1,4,2,3,6,5,12,14,15,16,17,18,11,13,19,7,10/E:(12,13,14)/rA:19cCCCCCCOCCONCOCCFFFO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s3;s11;d12;s2s12;s14;s15;s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8F3NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.61548
Area:382.975
Solvation:-3.95889
Coulombic:-72.4397
Bond Count [?]
All:21
Single:17
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:275.181
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.36
LogP (Chemaxon):0.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue