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Chemical ID: 7047274
Chemical ID:
7047274
Name [?]:
7-methoxy-N-(2-nitrophenyl)-2-oxo-chromene-3-carboxamide
SMILES [?]:
COc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C17H12N2O6/c1-24-11-7-6-10-8-12(17(21)25-15(10)9-11)16(20)18-13-4-2-3-5-14(13)19(22)23/h2-9H,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,5,4,7,13,6,3,8,17,22,12,14,9,16,23,15,10,24,25,2,11/E:(22,23)/CRV:19.5/rA:25nCOCCCCCCCOOCCCONCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s8;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12N2O6 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.46152 |
Area: | 517.487 |
Solvation: | -8.47567 |
Coulombic: | -60.0325 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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