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Chemical ID: 4665848

Chemical ID:

4665848

Name [?]:

methyl 2-(2-methoxycarbonylphenyl)aminobenzoate

SMILES [?]:

COC(=O)c1ccccc1Nc2ccccc2C(=O)OC

InChi [?]:

InChI=1/C16H15NO4/c1-20-15(18)11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16(19)21-2/h3-10,17H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,7,15,8,14,6,16,9,13,5,17,10,12,3,18,11,4,19,2,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)/rA:21nCOCOCCCCCCNCCCCCCCOOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅NO₄
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.79529
Area:	470.175
Solvation:	-2.95909
Coulombic:	-52.3481

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	285.295
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.75
LogP (Chemaxon):	3.04

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