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Chemical ID: 5793925
Chemical ID:
5793925
Name [?]:
2,4-dichloro-6-[(2-hydroxy-6-methyl-phenyl)iminomethyl]phenol
SMILES [?]:
Cc1cccc(c1N=Cc2cc(cc(c2O)Cl)Cl)O
InChi [?]:
InChI=1/C14H11Cl2NO2/c1-8-3-2-4-12(18)13(8)17-7-9-5-10(15)6-11(16)14(9)19/h2-7,18-19H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,11,13,9,2,10,12,14,6,7,15,18,17,8,19,16/rA:19nCCCCCCCNCCCCCCCOClClO/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s14;s12;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88179 |
Area: | 436.597 |
Solvation: | -3.03314 |
Coulombic: | -38.9813 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.148 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.61 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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