Chemical ID: 5292866

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])CCCOC(C)C
Chemical ID:
5292866
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])CCCOC(C)C
InChi [?]:
InChI=1/C24H24N2O6/c1-14(2)31-11-5-10-25-21(16-6-4-7-17(13-16)26(29)30)20-22(27)18-12-15(3)8-9-19(18)32-23(20)24(25)28/h4,6-9,12-14,21H,5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:31,32,1,19,27,18,20,3,4,26,28,7,22,30,2,17,21,6,5,10,16,8,11,13,15,23,9,14,24,25,29,12/E:(1,2)(29,30)/CRV:26.5/rA:32cCCCCCCCCOCCOCONCCCCCCCN+OO-CCCOCCC/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;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:6.72773
Area:679.263
Solvation:-10.2538
Coulombic:-54.1445
Bond Count [?]
All:35
Single:25
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:436.457
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.68
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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