Chemical ID: 4216376

CC(=O)c1cc2c(cc1N)OCCO2
Chemical ID:
4216376
Name [?]:
1-(8-amino-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)ethanone
SMILES [?]:
CC(=O)c1cc2c(cc1N)OCCO2
InChi [?]:
InChI=1/C10H11NO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-5H,2-3,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,5,8,2,4,9,6,7,10,3,14,11/rA:14nCCOCCCCCCNOCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s7;s11;s12;s6s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.15274
Area:341.384
Solvation:-3.38187
Coulombic:-39.1415
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.199
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.09
LogP (Chemaxon):0.54

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Descriptor Annotations

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