Chemical ID: 5273437

c1cc(ccc1CC2C(=O)NC(=O)S2)C(=O)O
Chemical ID:
5273437
Name [?]:
4-[(2,4-dioxothiazolidin-5-yl)methyl]benzoic acid
SMILES [?]:
c1cc(ccc1CC2C(=O)NC(=O)S2)C(=O)O
InChi [?]:
InChI=1/C11H9NO4S/c13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15/h1-4,8H,5H2,(H,14,15)(H,12,13,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,9,15,12,11,10,16,17,13,14/E:(1,2)(3,4)(14,15)/rA:17cCCCCCCCCCONCOSCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s8s12;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.27281
Area:420.67
Solvation:-3.24395
Coulombic:-58.1079
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.26
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.65
LogP (Chemaxon):1.38

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Descriptor Annotations

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