ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4790430

Chemical ID:

4790430

Name [?]:

N-(5-methoxy-1-methyl-2-oxo-indolin-3-yl)acetamide

SMILES [?]:

CC(=O)NC1c2cc(ccc2N(C1=O)C)OC

InChi [?]:

InChI=1/C12H14N2O3/c1-7(15)13-11-9-6-8(17-3)4-5-10(9)14(2)12(11)16/h4-6,11H,1-3H3,(H,13,15)

InChi Info:

AuxInfo=1/1/N:1,15,17,9,10,7,2,8,6,11,5,13,4,12,3,14,16/rA:17cCCONCCCCCCCNCOCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;s12;s8;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄N₂O₃
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	5.77494
Area:	412.34
Solvation:	-4.53355
Coulombic:	-42.2451

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	234.251
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	0.49
LogP (Chemaxon):	-0.26

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