Chemical ID: 5147273

c1ccc(c(c1)C(=O)N2CCCC2C(=O)[O-])Cl
Chemical ID:
5147273
Name [?]:
1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCC2C(=O)[O-])Cl
InChi [?]:
InChI=1/C12H12ClNO3/c13-9-5-2-1-4-8(9)11(15)14-7-3-6-10(14)12(16)17/h1-2,4-5,10H,3,6-7H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,11,6,3,12,10,5,4,13,7,14,17,9,8,15,16/E:(16,17)/rA:17cCCCCCCCONCCCCCOO-Cl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11ClNO3-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-35.6513
Area:404.49
Solvation:-45.7635
Coulombic:-13.9216
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.673
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.7
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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