Chemical ID: 5634429

CC(C)C(C(=O)O)NS(=O)(=O)c1ccc(cc1)C=CC(=O)O
Chemical ID:
5634429
Name [?]:
2-[4-(2-carboxyvinyl)phenyl]sulfonylamino-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NS(=O)(=O)c1ccc(cc1)C=CC(=O)O
InChi [?]:
InChI=1/C14H17NO6S/c1-9(2)13(14(18)19)15-22(20,21)11-6-3-10(4-7-11)5-8-12(16)17/h3-9,13,15H,1-2H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,16,18,13,17,19,2,15,12,20,4,5,8,21,22,6,7,10,11,9/E:(1,2)(3,4)(6,7)(16,17)(18,19)(20,21)/CRV:22.6/rA:22cCCCCCOONSOOCCCCCCCCCOO/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;w18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO6S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.04777
Area:492.825
Solvation:-4.27286
Coulombic:-66.1191
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:327.354
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.32
LogP (Chemaxon):1.98

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