Chemical ID: 4724731

c1cc2c(c(c1)Cl)nc(s2)NC(=O)C3CC3C(=O)O
Chemical ID:
4724731
Name [?]:
2-[(4-chlorobenzothiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILES [?]:
c1cc2c(c(c1)Cl)nc(s2)NC(=O)C3CC3C(=O)O
InChi [?]:
InChI=1/C12H9ClN2O3S/c13-7-2-1-3-8-9(7)14-12(19-8)15-10(16)5-4-6(5)11(17)18/h1-3,5-6H,4H2,(H,17,18)(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,14,16,5,3,4,12,17,9,7,8,11,13,18,19,10/E:(17,18)/rA:19cCCCCCCClNCSNCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s9;s11;d12;s12;s14;s14s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9ClN2O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.58171
Area:458.772
Solvation:-3.8876
Coulombic:-51.0502
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.73
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.07
LogP (Chemaxon):2.94

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