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Chemical ID: 4800749
Chemical ID:
4800749
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)Cl)Cl)CCCO
InChi [?]:
InChI=1/C20H15Cl2NO4/c21-13-7-6-11(10-14(13)22)17-16-18(25)12-4-1-2-5-15(12)27-19(16)20(26)23(17)8-3-9-24/h1-2,4-7,10,17,24H,3,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,25,6,3,17,18,24,26,21,16,5,19,20,4,9,15,7,10,12,23,22,14,27,8,13,11/rA:27cCCCCCCCOCCOCONCCCCCCCClClCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;s19;s14;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15Cl2NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4593 |
Area: | 596.135 |
Solvation: | -4.44402 |
Coulombic: | -52.6665 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 404.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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