Chemical ID: 5208504

c1ccc(cc1)c2nc(=O)[nH]c(=O)s2
Chemical ID:
5208504
Name [?]:
6-phenyl-1,3,5-thiadiazine-2,4-dione
SMILES [?]:
c1ccc(cc1)c2nc(=O)[nH]c(=O)s2
InChi [?]:
InChI=1/C9H6N2O2S/c12-8-10-7(14-9(13)11-8)6-4-2-1-3-5-6/h1-5H,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,9,12,8,11,10,13,14/E:(2,3)(4,5)/rA:14nCCCCCCCNCONCOS/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;d12;s7s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N2O2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.20757
Area:362.77
Solvation:-1.86168
Coulombic:-40.3583
Bond Count [?]
All:15
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.222
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.74
LogP (Chemaxon):2.35

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Descriptor Annotations

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