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Chemical ID: 6883660
Chemical ID:
6883660
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)COc3ccc4c(c3)oc(=O)c5c4CCC5
InChi [?]:
InChI=1/C24H19NO4/c26-23(25-21-10-3-6-15-5-1-2-7-17(15)21)14-28-16-11-12-19-18-8-4-9-20(18)24(27)29-22(19)13-16/h1-3,5-7,10-13H,4,8-9,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,8,28,6,7,3,27,29,9,17,18,21,14,5,16,4,26,19,25,10,20,12,23,11,13,24,15,22/rA:29nCCCCCCCCCCNCOCOCCCCCCOCOCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s19d25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19NO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3975 |
Area: | 597.227 |
Solvation: | -5.53316 |
Coulombic: | -47.609 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 385.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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