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Chemical ID: 6733246
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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Experimental Annotations
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Descriptor Annotations
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