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Chemical ID: 5865110

Chemical ID:

5865110

Name [?]:

4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]-3-methoxy-benzoic acid

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2OC)C(=O)O

InChi [?]:

InChI=1/C17H16ClNO5/c1-10-3-5-12(8-13(10)18)19-16(20)9-24-14-6-4-11(17(21)22)7-15(14)23-2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,21,3,16,4,15,18,6,12,2,17,5,7,14,19,10,22,8,9,11,23,24,20,13/E:(21,22)/rA:24nCCCCCCCClNCOCOCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆ClNO₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.97912
Area:	560.997
Solvation:	-7.04582
Coulombic:	-61.4295

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	349.765
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.78
LogP (Chemaxon):	3.12

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value