Chemical ID: 3964515

CCC(C=O)C(CNS(=O)(=O)c1ccc(cc1)C)C(=O)O
Chemical ID:
3964515
Name [?]:
3-formyl-2-(p-tolylsulfonylaminomethyl)pentanoic acid
SMILES [?]:
CCC(C=O)C(CNS(=O)(=O)c1ccc(cc1)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H19NO5S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:7.12691
Area:504.712
Solvation:-5.49088
Coulombic:-42.8857
Bond Count [?]
All:21
Single:14
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:313.37
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.53
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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