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Chemical ID: 5158172

Chemical ID:

5158172

Name [?]:

(2-aminophenyl)-(2,4,6-trimethoxyphenyl)-methanone

SMILES [?]:

COc1cc(c(c(c1)OC)C(=O)c2ccccc2N)OC

InChi [?]:

InChI=1/C16H17NO4/c1-19-10-8-13(20-2)15(14(9-10)21-3)16(18)11-6-4-5-7-12(11)17/h4-9H,17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,10,21,15,16,14,17,8,4,3,13,18,7,5,6,11,19,12,2,9,20/E:(2,3)(8,9)(13,14)(20,21)/rA:21nCOCCCCCCOCCOCCCCCCNOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;d14;s15;d16;d13s17;s18;s5;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇NO₄
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	5.91182
Area:	469.439
Solvation:	-5.82415
Coulombic:	-46.3914

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	287.311
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.93
LogP (Chemaxon):	2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value