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Chemical ID: 7051711

Chemical ID:

7051711

Name [?]:

butyl 2-(7-methyl-2,3-dioxo-indolin-1-yl)acetate

SMILES [?]:

CCCCOC(=O)CN1c2c(cccc2C(=O)C1=O)C

InChi [?]:

InChI=1/C15H17NO4/c1-3-4-8-20-12(17)9-16-13-10(2)6-5-7-11(13)14(18)15(16)19/h5-7H,3-4,8-9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,2,3,13,12,14,4,8,11,15,6,10,16,18,9,7,17,19,5/rA:20nCCCCOCOCNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s9s16;d18;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇NO₄
All Atoms:	37
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.70004
Area:	476.638
Solvation:	-3.21591
Coulombic:	-46.5036

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	275.3
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.01
LogP (Chemaxon):	2.13

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