Chemical ID: 4989188

CCN(CCCl)c1cc(cc(c1)C(=O)O)C(=O)O
Chemical ID:
4989188
Name [?]:
5-(2-chloroethyl-ethyl-amino)benzene-1,3-dicarboxylic acid
SMILES [?]:
CCN(CCCl)c1cc(cc(c1)C(=O)O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H14ClNO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.88544
Area:467.414
Solvation:-2.79992
Coulombic:-61.4753
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.697
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.65
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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