Chemical ID: 6733246

c1ccc(c(c1)CN2C(CCC2=O)C(=O)[O-])Cl
Chemical ID:
6733246
Name [?]:
1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate
SMILES [?]:
c1ccc(c(c1)CN2C(CCC2=O)C(=O)[O-])Cl
InChi [?]:
InChI=1/C12H12ClNO3/c13-9-4-2-1-3-8(9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,7,5,4,9,12,14,17,8,13,15,16/E:(16,17)/rA:17cCCCCCCCNCCCCOCOO-Cl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;d12;s9;d14;s14;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11ClNO3-
All Atoms:28
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-32.2366
Area:397.951
Solvation:-42.1854
Coulombic:-18.6168
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.673
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.17
LogP (Chemaxon):1.63

Name Annotations

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Descriptor Annotations

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