ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6639188

Chemical ID:

6639188

Name [?]:

N-(2-hydroxyphenyl)-2-phenoxy-acetamide

SMILES [?]:

c1ccc(cc1)OCC(=O)Nc2ccccc2O

InChi [?]:

InChI=1/C14H13NO3/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,8,4,12,17,9,11,18,10,7/E:(2,3)(6,7)/rA:18nCCCCCCOCCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃NO₃
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.59202
Area:	436.358
Solvation:	-4.31693
Coulombic:	-45.7538

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	243.258
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.7
LogP (Chemaxon):	2.59

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