Chemical ID: 6759376

c1ccc2c(c1)C(=O)C(=O)N2C[NH+]3CCOCC3
Chemical ID:
6759376
Name [?]:
1-(1-oxa-4-azoniacyclohex-4-ylmethyl)indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2C[NH+]3CCOCC3
InChi [?]:
InChI=1/C13H14N2O3/c16-12-10-3-1-2-4-11(10)15(13(12)17)9-14-5-7-18-8-6-14/h1-4H,5-9H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,18,15,17,12,5,4,7,9,13,11,8,10,16/E:(5,6)(7,8)/rA:18nCCCCCCCOCONCN+CCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N2O3+
All Atoms:33
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-25.3021
Area:411.415
Solvation:-35.5875
Coulombic:0.664162
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:247.27
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.32
LogP (Chemaxon):0.89

Name Annotations

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Descriptor Annotations

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