Chemical ID: 7418852

Cc1cc(c(c(c1)[N+](=O)[O-])NC(=O)c2cc3ccccc3oc2=O)C
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

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