Chemical ID: 6408897

Cc1c2c(=O)cc[nH]c2nc(n1)C(Cl)(Cl)Cl
Chemical ID:
6408897
Name [?]:
10-methyl-8-(trichloromethyl)-5,7,9-triazabicyclo[4.4.0]deca-3,7,9,11-tetraen-2-one
SMILES [?]:
Cc1c2c(=O)cc[nH]c2nc(n1)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C9H6Cl3N3O/c1-4-6-5(16)2-3-13-7(6)15-8(14-4)9(10,11)12/h2-3H,1H3,(H,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,6,7,2,4,3,9,11,13,14,15,16,8,12,10,5/E:(10,11,12)/rA:16nCCCCOCCNCNCNCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d3s8;s9;d10;d2s11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6Cl3N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.75913
Area:411.278
Solvation:-1.52281
Coulombic:-33.9938
Bond Count [?]
All:17
Single:12
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:278.522
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.96
LogP (Chemaxon):3.05

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Descriptor Annotations

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