Chemical ID: 5240332

c1cc(ccc1C(=O)N2CCCC2C(=O)O)Cl
Chemical ID:
5240332
Name [?]:
1-(4-chlorobenzoyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
c1cc(ccc1C(=O)N2CCCC2C(=O)O)Cl
InChi [?]:
InChI=1/C12H12ClNO3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h3-6,10H,1-2,7H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:11,12,1,5,2,4,10,6,3,13,7,14,17,9,8,15,16/E:(3,4)(5,6)(16,17)/rA:17cCCCCCCCONCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12ClNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.44583
Area:417.708
Solvation:-2.99686
Coulombic:-44.922
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.681
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.18
LogP (Chemaxon):1.77

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