Chemical ID: 4786593

c1ccc(cc1)OCc2[nH]c(cc(=Nc3ccc(cc3)Cl)n2)O
Chemical ID:
4786593
Name [?]:
6-(4-chlorophenyl)imino-2-(phenoxymethyl)-3H-pyrimidin-4-ol
SMILES [?]:
c1ccc(cc1)OCc2[nH]c(cc(=Nc3ccc(cc3)Cl)n2)O
InChi [?]:
InChI=1/C17H14ClN3O2/c18-12-6-8-13(9-7-12)19-15-10-17(22)21-16(20-15)11-23-14-4-2-1-3-5-14/h1-10H,11H2,(H2,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,19,16,20,12,8,18,15,4,13,9,11,21,14,22,10,23,7/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCCOCCNCCCNCCCCCCClNO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;d9s13;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0417
Area:542.406
Solvation:-3.51843
Coulombic:-48.2879
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:327.765
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.98
LogP (Chemaxon):4.48

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Descriptor Annotations

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