Chemical ID: 4726441

c1cc(c(cc1Cl)Cl)OCCCN
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

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Experimental Annotations

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Descriptor Annotations

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