Chemical ID: 7080207

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])CCOC
Chemical ID:
7080207
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])CCOC
InChi [?]:
InChI=1/C21H18N2O6/c1-12-6-7-16-15(10-12)19(24)17-18(13-4-3-5-14(11-13)23(26)27)22(8-9-28-2)21(25)20(17)29-16/h3-7,10-11,18H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,19,18,20,3,4,26,27,7,22,2,17,21,6,5,10,16,8,11,13,15,23,9,14,24,25,28,12/E:(26,27)/CRV:23.5/rA:29cCCCCCCCCOCCOCONCCCCCCCN+OO-CCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s15;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O6
All Atoms:47
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:5.23
Area:595.867
Solvation:-9.66668
Coulombic:-54.4232
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.378
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.44
LogP (Chemaxon):2.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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