Chemical ID: 4386033

c1cc(c(cc1C(=O)N)NC(=O)C=CC(=O)O)Cl
Chemical ID:
4386033
Name [?]:
4-(5-carbamoyl-2-chloro-phenyl)amino-4-oxo-but-2-enoic acid
SMILES [?]:
c1cc(c(cc1C(=O)N)NC(=O)C=CC(=O)O)Cl
InChi [?]:
InChI=1/C11H9ClN2O4/c12-7-2-1-6(11(13)18)5-8(7)14-9(15)3-4-10(16)17/h1-5H,(H2,13,18)(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,5,6,3,4,11,15,7,18,9,10,12,16,17,8/E:(16,17)/rA:18nCCCCCCCONNCOCCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;d11;s11;w13;s14;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9ClN2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.33905
Area:439.624
Solvation:-4.65154
Coulombic:-71.6162
Bond Count [?]
All:18
Single:11
Double:7
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:268.653
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:0.45
LogP (Chemaxon):0.1

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