Chemical ID: 7047274

COc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccccc3[N+](=O)[O-]
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

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Descriptor Annotations

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