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Chemical ID: 6344554

Chemical ID:

6344554

Name [?]:

N-(benzo[1,3]dioxol-5-ylmethyl)hexanamide

SMILES [?]:

CCCCCC(=O)NCc1ccc2c(c1)OCO2

InChi [?]:

InChI=1/C14H19NO3/c1-2-3-4-5-14(16)15-9-11-6-7-12-13(8-11)18-10-17-12/h6-8H,2-5,9-10H2,1H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,5,11,12,15,9,17,10,13,14,6,8,7,18,16/rA:18nCCCCCCONCCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉NO₃
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.46777
Area:	470.178
Solvation:	-3.28668
Coulombic:	-37.7849

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	249.306
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.14
LogP (Chemaxon):	2.49

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