Chemical ID: 6715100

COc1ccc(cc1)c2nccc(n2)Cl
Chemical ID:
6715100
Name [?]:
4-chloro-2-(4-methoxyphenyl)-pyrimidine
SMILES [?]:
COc1ccc(cc1)c2nccc(n2)Cl
InChi [?]:
InChI=1/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)11-13-7-6-10(12)14-11/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,12,11,6,3,13,9,15,10,14,2/E:(2,3)(4,5)/rA:15nCOCCCCCCCNCCCNCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9ClN2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.31907
Area:393.42
Solvation:-2.51643
Coulombic:-19.6497
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.655
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.38
LogP (Chemaxon):2.59

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Descriptor Annotations

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