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Chemical ID: 6876206

Chemical ID:

6876206

Name [?]:

(2,5-dichlorophenyl)carbamoylmethyl 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)OCC(=O)Nc2cc(ccc2Cl)Cl

InChi [?]:

InChI=1/C16H13Cl2NO4/c1-22-12-5-2-10(3-6-12)16(21)23-9-15(20)19-14-8-11(17)4-7-13(14)18/h2-8H,9H2,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,5,7,19,4,8,20,17,12,6,18,3,21,16,13,9,23,22,15,14,10,2,11/E:(2,3)(5,6)/rA:23nCOCCCCCCCOOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃Cl₂NO₄
All Atoms:	36
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.81798
Area:	564.044
Solvation:	-4.28313
Coulombic:	-48.9517

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	354.184
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.86
LogP (Chemaxon):	2.81

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value