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Chemical ID: 4770294
Chemical ID:
4770294
Name [?]:
1-(3,4-dichlorophenoxy)-3-[(3,5-dichlorophenyl)methylamino]propan-2-ol
SMILES [?]:
c1cc(c(cc1OCC(CNCc2cc(cc(c2)Cl)Cl)O)Cl)Cl
InChi [?]:
InChI=1/C16H15Cl4NO2/c17-11-3-10(4-12(18)5-11)7-21-8-13(22)9-23-14-1-2-15(19)16(20)6-14/h1-6,13,21-22H,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,14,18,16,5,12,10,8,13,15,17,9,6,3,4,20,19,23,22,11,21,7/E:(3,4)(11,12)(17,18)/rA:23cCCCCCCOCCCNCCCCCCCClClOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s15;s9;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl4NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5878 |
Area: | 621.203 |
Solvation: | -4.94227 |
Coulombic: | -34.4448 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 395.107 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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