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Chemical ID: 5285387
Chemical ID:
5285387
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)Cl)CCCOC(C)C
InChi [?]:
InChI=1/C24H24ClNO4/c1-14(2)29-12-4-11-26-21(16-6-8-17(25)9-7-16)20-22(27)18-13-15(3)5-10-19(18)30-23(20)24(26)28/h5-10,13-14,21H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:29,30,1,25,3,18,22,19,21,4,24,26,7,28,2,17,20,6,5,10,16,8,11,13,23,15,9,14,27,12/E:(1,2)(6,7)(8,9)/rA:30cCCCCCCCCOCCOCONCCCCCCCClCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;s25;s26;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24ClNO4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1269 |
Area: | 664.631 |
Solvation: | -4.48891 |
Coulombic: | -44.0775 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 425.904 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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