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Chemical ID: 7418852
Chemical ID:
7418852
Name [?]:
N-(2,4-dimethyl-6-nitro-phenyl)-2-oxo-chromene-3-carboxamide
SMILES [?]:
Cc1cc(c(c(c1)[N+](=O)[O-])NC(=O)c2cc3ccccc3oc2=O)C
InChi [?]:
InChI=1/C18H14N2O5/c1-10-7-11(2)16(14(8-10)20(23)24)19-17(21)13-9-12-5-3-4-6-15(12)25-18(13)22/h3-9H,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,25,18,19,17,20,3,7,15,2,4,16,14,6,21,5,12,23,11,8,13,24,9,10,22/E:(23,24)/CRV:20.5/rA:25nCCCCCCCN+OO-NCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;d14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;d23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O5 |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.3027 |
Area: | 514.049 |
Solvation: | -7.54853 |
Coulombic: | -53.053 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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