Chemical ID: 6564962

CCOc1ccc(cc1)C(=O)OCC(=O)Nc2cc(c(cc2Cl)Cl)Cl
Chemical ID:
6564962
Name [?]:
(2,4,5-trichlorophenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl3NO4/c1-2-24-11-5-3-10(4-6-11)17(23)25-9-16(22)21-15-8-13(19)12(18)7-14(15)20/h3-8H,2,9H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,21,18,13,7,4,20,19,22,17,14,10,24,25,23,16,15,11,3,12/E:(3,4)(5,6)/rA:25nCCOCCCCCCCOOCCONCCCCCCClClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl3NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.194
Area:618.733
Solvation:-4.27429
Coulombic:-48.9258
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:402.655
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.9
LogP (Chemaxon):3.67

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Descriptor Annotations

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