Chemical ID: 5871131

C(=O)c1c(nc(nc1Cl)N)Cl
Chemical ID:
5871131
Name [?]:
2-amino-4,6-dichloro-pyrimidine-5-carbaldehyde
SMILES [?]:
C(=O)c1c(nc(nc1Cl)N)Cl
InChi [?]:
InChI=1/C5H3Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H,(H2,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,8,6,11,9,10,5,7,2/E:(3,4)(6,7)(9,10)/rA:11nCOCCNCNCClNCl/rB:d1;s1;s3;d4;s5;d6;d3s7;s8;s6;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H3Cl2N3O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.85073
Area:326.703
Solvation:-2.31685
Coulombic:-34.5959
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:192.002
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.76
LogP (Chemaxon):1.26

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Descriptor Annotations

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