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Chemical ID: 7449332
Chemical ID:
7449332
Name [?]:
6-ethoxy-8,10-dimethyl-9-(3-nitrophenyl)-9-azabicyclo[5.3.0]deca-3,5,7,10-tetraen-2-one
SMILES [?]:
CCOc1cccc(=O)c2c1c(n(c2C)c3cccc(c3)N(=O)=O)C
InChi [?]:
InChI=1/C19H18N2O4/c1-4-25-17-10-6-9-16(22)18-12(2)20(13(3)19(17)18)14-7-5-8-15(11-14)21(23)24/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,25,2,18,6,17,19,7,5,21,14,12,16,20,8,4,10,11,13,22,9,23,24,3/E:(23,24)/CRV:21.5/rA:25nCCOCCCCCOCCCNCCCCCCCCNOOC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s8;s4s10;d11;s12;d10s13;s14;s13;s16;d17;s18;d19;d16s20;s20;d22;d22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.30001 |
Area: | 533.079 |
Solvation: | -8.02697 |
Coulombic: | -33.2674 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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