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Chemical ID: 5611047
Chemical ID:
5611047
Name [?]:
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol
SMILES [?]:
c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)O
InChi [?]:
InChI=1/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,5,10,15,6,3,4,9,7,8,14,11,16/rA:16cCCCCCCClClCCNCCNCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;d12;s13;s11d14;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10Cl2N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.52083 |
Area: | 424.187 |
Solvation: | -3.08384 |
Coulombic: | -28.1098 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.115 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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