ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7530162

Chemical ID:

7530162

Name [?]:

N-(1,3-dioxoisoindolin-5-yl)cyclopropanecarboxamide

SMILES [?]:

c1cc2c(cc1NC(=O)C3CC3)C(=O)NC2=O

InChi [?]:

InChI=1/C12H10N2O3/c15-10(6-1-2-6)13-7-3-4-8-9(5-7)12(17)14-11(8)16/h3-6H,1-2H2,(H,13,15)(H,14,16,17)

InChi Info:

AuxInfo=1/1/N:11,12,1,2,5,10,6,3,4,8,16,13,7,15,9,17,14/E:(1,2)/rA:17nCCCCCCNCOCCCCONCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s10s11;s4;d13;s13;s3s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₀N₂O₃
All Atoms:	27
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	7.06476
Area:	407.478
Solvation:	-3.12218
Coulombic:	-48.9066

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.45
LogP (Chemaxon):	None

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value