Chemical ID: 7161961

CC1=C(N2C(C(C2=O)NC(=O)c3ccccc3Cl)SC1)C(=O)O
Chemical ID:
7161961
Name [?]:
7-(2-chlorobenzoyl)amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES [?]:
CC1=C(N2C(C(C2=O)NC(=O)c3ccccc3Cl)SC1)C(=O)O
InChi [?]:
InChI=1/C15H13ClN2O4S/c1-7-6-23-14-10(13(20)18(14)11(7)15(21)22)17-12(19)8-4-2-3-5-9(8)16/h2-5,10,14H,6H2,1H3,(H,17,19)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,16,20,2,12,17,6,3,10,7,5,21,18,9,4,11,8,22,23,19/E:(21,22)/rA:23cCCCNCCCONCOCCCCCCClSCCOO/rB:s1;d2;s3;s4;s5;s4s6;d7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s5;s2s19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O4S
All Atoms:36
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:8.00219
Area:507.66
Solvation:-4.6893
Coulombic:-66.4185
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.793
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.84
LogP (Chemaxon):1.42

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