Chemical ID: 4949599

c1ccc(cc1)c2c(=O)oc(=O)[nH]n2
Chemical ID:
4949599
Name [?]:
5-phenyl-3H-1,3,4-oxadiazine-2,6-dione
SMILES [?]:
c1ccc(cc1)c2c(=O)oc(=O)[nH]n2
InChi [?]:
InChI=1/C9H6N2O3/c12-8-7(10-11-9(13)14-8)6-4-2-1-3-5-6/h1-5H,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,11,14,13,9,12,10/E:(2,3)(4,5)/rA:14nCCCCCCCCOOCONN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s11;d7s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.77716
Area:343.324
Solvation:-1.80593
Coulombic:-44.6588
Bond Count [?]
All:15
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.156
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.93
LogP (Chemaxon):1.33

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Descriptor Annotations

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