Chemical ID: 7461803

COc1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)N(=O)=O
Chemical ID:
7461803
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)N(=O)=O
InChi [?]:
InChI=1/C26H20N2O6/c1-33-19-11-9-16(10-12-19)13-14-27-23(17-5-4-6-18(15-17)28(31)32)22-24(29)20-7-2-3-8-21(20)34-25(22)26(27)30/h2-12,15,23H,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,28,27,29,17,20,5,7,4,8,9,10,31,6,26,30,3,16,21,13,12,14,23,24,11,32,15,25,33,34,2,22/E:(9,10)(11,12)(31,32)/CRV:28.5/rA:34cCOCCCCCCCCNCCCOCCCCCCOCCOCCCCCCNOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s11s23;d24;s12;s26;d27;s28;d29;d26s30;s30;d32;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20N2O6
All Atoms:54
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:6.33097
Area:667.305
Solvation:-10.3517
Coulombic:-54.8534
Bond Count [?]
All:38
Single:24
Double:14
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:456.447
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.09
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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