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Chemical ID: 5754134
Chemical ID:
5754134
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)c4ccc(c(c4)Cl)Cl)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H17Cl3N2O/c25-16-8-5-14(6-9-16)23-22-18(17-3-1-2-4-21(17)28-22)11-12-29(23)24(30)15-7-10-19(26)20(27)13-15/h1-10,13,23,28H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,25,29,17,26,28,18,13,12,21,24,16,27,5,7,19,20,4,8,10,14,30,23,22,9,11,15/E:(5,6)(8,9)/rA:30cCCCCCCCCNCNCCCOCCCCCCClClCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;s10;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17Cl3N2O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1069 |
Area: | 632.909 |
Solvation: | -2.7158 |
Coulombic: | -32.1507 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 455.763 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.65 |
LogP (Chemaxon): | 6.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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