Chemical ID: 6891776

CCOc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2Cl)Cl
Chemical ID:
6891776
Name [?]:
(2,3-dichlorophenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2NO4/c1-2-23-12-8-6-11(7-9-12)17(22)24-10-15(21)20-14-5-3-4-13(18)16(14)19/h3-9H,2,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,18,6,8,5,9,13,7,4,21,17,14,22,10,24,23,16,15,11,3,12/E:(6,7)(8,9)/rA:24nCCOCCCCCCCOOCCONCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15Cl2NO4
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4732
Area:585.166
Solvation:-4.15592
Coulombic:-49.4573
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.211
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.28
LogP (Chemaxon):3.15

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Descriptor Annotations

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