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Chemical ID: 4911453
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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