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Chemical ID: 6506423
Chemical ID:
6506423
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(con3)c(=O)o2
InChi [?]:
InChI=1/C10H5NO3/c12-10-7-5-13-11-9(7)6-3-1-2-4-8(6)14-10/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,9,5,8,4,7,12,11,13,10,14/rA:14nCCCCCCCCCONCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s8;d12;s4s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.59046 |
Area: | 328.718 |
Solvation: | -2.62749 |
Coulombic: | -22.0788 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 187.152 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.0 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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