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Chemical ID: 7392572
Chemical ID:
7392572
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)Cc5ccccc5
InChi [?]:
InChI=1/C25H18ClNO4/c1-14-10-20-18(12-19(14)26)23(29)21-22(16-8-5-9-17(28)11-16)27(25(30)24(21)31-20)13-15-6-3-2-4-7-15/h2-12,22,28H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,20,27,31,19,21,3,23,6,25,2,26,18,22,5,7,4,11,17,9,12,14,8,16,24,10,15,13/E:(3,4)(6,7)/rA:31cCCCCCCCClCOCCOCONCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18ClNO4 |
All Atoms: | 49 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5057 |
Area: | 630.75 |
Solvation: | -4.26307 |
Coulombic: | -52.6439 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 431.867 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.57 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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