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Chemical ID: 7382029
Chemical ID:
7382029
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OC)Cc5cccnc5
InChi [?]:
InChI=1/C25H19ClN2O4/c1-14-10-20-18(11-19(14)26)23(29)21-22(16-5-7-17(31-2)8-6-16)28(25(30)24(21)32-20)13-15-4-3-9-27-12-15/h3-12,22H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,29,28,19,23,20,22,30,3,6,32,26,2,27,18,21,5,7,4,11,17,9,12,14,8,31,16,10,15,24,13/E:(5,6)(7,8)/rA:32cCCCCCCCClCOCCOCONCCCCCCCOCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s16;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19ClN2O4 |
All Atoms: | 51 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0323 |
Area: | 649.543 |
Solvation: | -5.20629 |
Coulombic: | -46.7805 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 446.882 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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