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Chemical ID: 6883679
Chemical ID:
6883679
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)Nc4cccc5c4cccc5
InChi [?]:
InChI=1/C25H21NO4/c1-15-22(13-12-19-18-9-5-10-20(18)25(28)30-24(15)19)29-14-23(27)26-21-11-4-7-16-6-2-3-8-17(16)21/h2-4,6-8,11-13H,5,9-10,14H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,29,28,23,14,30,24,27,13,15,22,5,4,17,2,25,26,12,6,11,21,3,18,7,9,20,19,10,16,8/rA:30nCCCCCCCOCOCCCCCOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21NO4 |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8415 |
Area: | 611.699 |
Solvation: | -5.45098 |
Coulombic: | -47.7379 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 399.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.44 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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