Chemical ID: 4911453

c1ccc2c(c1)c(=O)cc3n2CC(=O)O3
Chemical ID:
4911453
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)cc3n2CC(=O)O3
InChi [?]:
InChI=1/C11H7NO3/c13-9-5-10-12(6-11(14)15-10)8-4-2-1-3-7(8)9/h1-5H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,9,12,5,4,7,10,13,11,8,14,15/rA:15nCCCCCCCOCCNCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s11;s12;d13;s10s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.8165
Area:348.358
Solvation:-2.89246
Coulombic:-33.0697
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:201.178
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.83
LogP (Chemaxon):1.39

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