Chemical ID: 4117396

c1cc(c(cc1Cl)Cl)CCN
Chemical ID:
4117396
Name [?]:
2-(2,4-dichlorophenyl)ethanamine
SMILES [?]:
c1cc(c(cc1Cl)Cl)CCN
InChi [?]:
InChI=1/C8H9Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChi Info:
AuxInfo=1/0/N:2,1,9,10,5,3,6,4,7,8,11/rA:11nCCCCCCClClCCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9Cl2N
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.96473
Area:350.648
Solvation:-0.801475
Coulombic:-14.4619
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.069
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.55
LogP (Chemaxon):2.45

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Experimental Annotations

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Descriptor Annotations

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