ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6175843

Chemical ID:

6175843

Name [?]:

N-(4-hydroxy-2,5-dimethyl-phenyl)benzamide

SMILES [?]:

Cc1cc(c(cc1O)C)NC(=O)c2ccccc2

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:9,1,16,15,17,14,18,3,6,5,2,13,4,7,11,10,8,12/E:(4,5)(6,7)/rA:18nCCCCCCCOCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.35817
Area:	433.222
Solvation:	-2.47239
Coulombic:	-38.8571

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:	2.62
LogP (Chemaxon):	3.1

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