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Chemical ID: 4371459
Chemical ID:
4371459
Name [?]:
4-chloro-1-[3-(3-methoxyphenoxy)propoxy]-2-methyl-benzene
SMILES [?]:
Cc1cc(ccc1OCCCOc2cccc(c2)OC)Cl
InChi [?]:
InChI=1/C17H19ClO3/c1-13-11-14(18)7-8-17(13)21-10-4-9-20-16-6-3-5-15(12-16)19-2/h3,5-8,11-12H,4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,15,10,16,14,5,6,11,9,3,18,2,4,17,13,7,21,19,12,8/rA:21nCCCCCCCOCCCOCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19ClO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44481 |
Area: | 532.218 |
Solvation: | -4.86064 |
Coulombic: | -23.297 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 306.784 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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