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Chemical ID: 6700993
Chemical ID:
6700993
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2[nH]cc(c3=O)C(=O)[O-]
InChi [?]:
InChI=1/C14H9NO3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7H,(H,15,16)(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,12,5,4,9,13,10,14,16,11,15,17,18/E:(17,18)/rA:18nCCCCCCCCCCNCCCOCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s9s13;d14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8NO3- |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.8103 |
Area: | 394.514 |
Solvation: | -44.6732 |
Coulombic: | -20.1799 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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