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Chemical ID: 4568413
Chemical ID:
4568413
Name [?]:
None
SMILES [?]:
Cc1cc2c(c(c1)OCC(=O)Nc3ccccc3C(=O)OC)c4c(c(=O)o2)CCC4
InChi [?]:
InChI=1/C23H21NO6/c1-13-10-18(21-14-7-5-8-15(14)23(27)30-19(21)11-13)29-12-20(25)24-17-9-4-3-6-16(17)22(26)28-2/h3-4,6,9-11H,5,7-8,12H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,16,15,29,17,30,28,14,7,3,9,2,23,24,18,13,6,4,10,5,19,25,12,11,20,26,21,8,27/rA:30nCCCCCCCOCCONCCCCCCCOOCCCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;s5;d23;s24;d25;s4s25;s24;s28;s23s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4372 |
Area: | 615.135 |
Solvation: | -4.94117 |
Coulombic: | -67.2236 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.75 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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