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Chemical ID: 4483467
Chemical ID:
4483467
Name [?]:
None
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCCCC4)C
InChi [?]:
InChI=1/C24H25NO4/c1-15-7-6-8-16(2)23(15)25-22(26)14-28-17-11-12-19-18-9-4-3-5-10-20(18)24(27)29-21(19)13-17/h6-8,11-13H,3-5,9-10,14H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,26,25,27,4,3,5,24,28,14,15,18,11,2,6,13,23,16,22,17,9,7,20,8,10,21,12,19/E:(1,2)(7,8)(15,16)/rA:29nCCCCCCCNCOCOCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s16d22;s23;s24;s25;s26;s22s27;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57173 |
Area: | 602.891 |
Solvation: | -5.50054 |
Coulombic: | -46.8066 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 391.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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