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Chemical ID: 7455000
Chemical ID:
7455000
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccco4)c5ccc(cc5)N(=O)=O
InChi [?]:
InChI=1/C24H18N2O6/c1-13-10-18-19(11-14(13)2)32-23-20(22(18)27)21(15-5-7-16(8-6-15)26(29)30)25(24(23)28)12-17-4-3-9-31-17/h3-11,21H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,21,20,25,29,26,28,22,3,6,18,2,7,24,27,19,4,5,11,14,12,10,16,15,30,13,17,31,32,23,9/E:(5,6)(7,8)(29,30)/CRV:26.5/rA:32cCCCCCCCCOCCCOCNCOCCCCCOCCCCCCNOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;d19;s20;d21;s19s22;s14;s24;d25;s26;d27;d24s28;s27;d30;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O6 |
All Atoms: | 50 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.0709 |
Area: | 599.626 |
Solvation: | -8.91976 |
Coulombic: | -53.8064 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 430.41 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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