Chemical ID: 5793915

COc1ccc(cc1)c2nc3ccc(cc3o2)N=Cc4cc(cc(c4O)Cl)Cl
Chemical ID:
5793915
Name [?]:
2,4-dichloro-6-[[2-(4-methoxyphenyl)benzooxazol-6-yl]iminomethyl]phenol
SMILES [?]:
COc1ccc(cc1)c2nc3ccc(cc3o2)N=Cc4cc(cc(c4O)Cl)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O3/c1-27-16-5-2-12(3-6-16)21-25-18-7-4-15(10-19(18)28-21)24-11-13-8-14(22)9-17(23)20(13)26/h2-11,26H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,13,4,8,12,21,23,15,19,6,20,22,14,3,24,11,16,25,9,28,27,18,10,26,2,17/E:(2,3)(5,6)/rA:28nCOCCCCCCCNCCCCCCONCCCCCCCOClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;w18;s19;s20;d21;s22;d23;d20s24;s25;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6411
Area:594.975
Solvation:-4.23326
Coulombic:-44.2947
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:413.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.27
LogP (Chemaxon):6.72

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Descriptor Annotations

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