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Chemical ID: 6598385

Chemical ID:

6598385

Name [?]:

N-(4-ethoxyphenyl)-2-hydroxy-benzamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)c2ccccc2O

InChi [?]:

InChI=1/C15H15NO3/c1-2-19-12-9-7-11(8-10-12)16-15(18)13-5-3-4-6-14(13)17/h3-10,17H,2H2,1H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,2,15,16,14,17,6,8,5,9,7,4,13,18,11,10,19,12,3/E:(7,8)(9,10)/rA:19nCCOCCCCCCNCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅NO₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	6.98311
Area:	452.008
Solvation:	-4.31708
Coulombic:	-44.7087

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	257.285
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.35
LogP (Chemaxon):	2.91

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