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Chemical ID: 4235541
Chemical ID:
4235541
Name [?]:
3-(3,4-dichlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILES [?]:
COCCNCCCOc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C12H17Cl2NO2/c1-16-8-6-15-5-2-7-17-10-3-4-11(13)12(14)9-10/h3-4,9,15H,2,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,12,6,4,8,3,15,10,13,14,17,16,5,2,9/rA:17nCOCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17Cl2NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48398 |
Area: | 497.731 |
Solvation: | -3.95929 |
Coulombic: | -24.764 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.174 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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