Chemical ID: 6509924

CN(C)C(=O)c1ccc(cc1)N2C(=O)c3cccc4c3c(ccc4[N+](=O)[O-])C2=O
Chemical ID:
6509924
Name [?]:
None
SMILES [?]:
CN(C)C(=O)c1ccc(cc1)N2C(=O)c3cccc4c3c(ccc4[N+](=O)[O-])C2=O
InChi [?]:
InChI=1/C21H15N3O5/c1-22(2)19(25)12-6-8-13(9-7-12)23-20(26)15-5-3-4-14-17(24(28)29)11-10-16(18(14)15)21(23)27/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,16,7,11,8,10,22,23,6,9,19,15,21,24,20,4,13,28,2,12,25,5,14,29,26,27/E:(1,2)(6,7)(8,9)(28,29)/CRV:24.5/rA:29nCNCCOCCCCCCNCOCCCCCCCCCCN+OO-CO/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s24;d25;s25;s12s21;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:5.36195
Area:569.957
Solvation:-8.88697
Coulombic:-54.8788
Bond Count [?]
All:32
Single:20
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.361
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.28
LogP (Chemaxon):2.41

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Descriptor Annotations

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