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Chemical ID: 5525096
Chemical ID:
5525096
Name [?]:
1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
SMILES [?]:
CC(c1ccc(cc1)Cl)OCC(CNCCc2ccc(cc2Cl)Cl)O
InChi [?]:
InChI=1/C19H22Cl3NO2/c1-13(14-2-5-16(20)6-3-14)25-12-18(24)11-23-9-8-15-4-7-17(21)10-19(15)22/h2-7,10,13,18,23-24H,8-9,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,18,5,7,19,16,15,21,13,11,2,3,17,6,20,12,22,9,24,23,14,25,10/E:(2,3)(5,6)/rA:25cCCCCCCCCClOCCCNCCCCCCCCClClO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22Cl3NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.5757 |
Area: | 656.042 |
Solvation: | -4.82538 |
Coulombic: | -36.5081 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.742 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.93 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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