ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6626474

Chemical ID:

6626474

Name [?]:

N-[(4-butoxyphenyl)methyleneamino]-2-(2-chlorophenoxy)-acetamide

SMILES [?]:

CCCCOc1ccc(cc1)C=NNC(=O)COc2ccccc2Cl

InChi [?]:

InChI=1/C19H21ClN2O3/c1-2-3-12-24-16-10-8-15(9-11-16)13-21-22-19(23)14-25-18-7-5-4-6-17(18)20/h4-11,13H,2-3,12,14H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,3,22,21,23,20,8,10,7,11,4,12,17,9,6,24,19,15,25,13,14,16,5,18/E:(8,9)(10,11)/rA:25nCCCCOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁ClN₂O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.40193
Area:	611.978
Solvation:	-6.89752
Coulombic:	-34.3366

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	360.834
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.56
LogP (Chemaxon):	4.49

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