Chemical ID: 7194374

c1cc(ccc1N2C(=O)C(C(=O)NC2=O)C=O)Cl
Chemical ID:
7194374
Name [?]:
1-(4-chlorophenyl)-2,4,6-trioxo-hexahydropyrimidine-5-carbaldehyde
SMILES [?]:
c1cc(ccc1N2C(=O)C(C(=O)NC2=O)C=O)Cl
InChi [?]:
InChI=1/C11H7ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-15)9(16)13-11(14)18/h1-5,8H,(H,13,16,18)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,16,3,6,10,11,8,14,18,13,7,17,12,9,15/E:(1,2)(3,4)/rA:18cCCCCCCNCOCCONCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s11;s7s13;d14;s10;d16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7ClN2O4
All Atoms:25
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.79418
Area:426.436
Solvation:-4.86672
Coulombic:-50.0956
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.637
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.45
LogP (Chemaxon):0.55

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