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Chemical ID: 4735425
Chemical ID:
4735425
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)oc(=O)c3n2ccc3
InChi [?]:
InChI=1/C12H7NO3/c14-11-8-4-1-2-5-9(8)13-7-3-6-10(13)12(15)16-11/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,15,6,3,16,14,5,4,12,7,10,13,8,11,9/rA:16nCCCCCCCOOCOCNCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s10;s4s12;s13;d14;d12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H7NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.69487 |
Area: | 355.704 |
Solvation: | -2.19774 |
Coulombic: | -37.136 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 213.189 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.2 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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