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Chemical ID: 4726441
Chemical ID:
4726441
Name [?]:
3-(2,4-dichlorophenoxy)propan-1-amine
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCCCN
InChi [?]:
InChI=1/C9H11Cl2NO/c10-7-2-3-9(8(11)6-7)13-5-1-4-12/h2-3,6H,1,4-5,12H2
InChi Info:
AuxInfo=1/0/N:11,1,2,12,10,5,6,4,3,7,8,13,9/rA:13nCCCCCCClClOCCCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11Cl2NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66491 |
Area: | 402.315 |
Solvation: | -2.39297 |
Coulombic: | -20.8619 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.095 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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