Chemical ID: 6884153

Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)Nc4cccc(c4Cl)Cl
Chemical ID:
6884153
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)Nc4cccc(c4Cl)Cl
InChi [?]:
InChI=1/C21H17Cl2NO4/c1-11-17(27-10-18(25)24-16-7-3-6-15(22)19(16)23)9-8-13-12-4-2-5-14(12)21(26)28-20(11)13/h3,6-9H,2,4-5,10H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,14,23,13,15,24,22,5,4,17,2,12,6,11,25,21,3,18,26,7,9,28,27,20,19,10,16,8/rA:28nCCCCCCCOCOCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17Cl2NO4
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.3823
Area:612.762
Solvation:-4.93674
Coulombic:-47.671
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:418.269
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):4.62

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Descriptor Annotations

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