ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4588257

Chemical ID:

4588257

Name [?]:

N-(2,5-dimethylphenyl)-2-hydroxy-benzamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)c2ccccc2O)C

InChi [?]:

InChI=1/C15H15NO2/c1-10-7-8-11(2)13(9-10)16-15(18)12-5-3-4-6-14(12)17/h3-9,17H,1-2H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,18,13,14,12,15,3,4,7,2,5,11,6,16,9,8,17,10/rA:18nCCCCCCCNCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s5;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅NO₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.66876
Area:	425.901
Solvation:	-2.97875
Coulombic:	-38.1284

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	241.285
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.68
LogP (Chemaxon):	3.1

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