Chemical ID: 5240720

c1cc(cc(c1)Cl)C(=O)N2CCCC2C(=O)O
Chemical ID:
5240720
Name [?]:
1-(3-chlorobenzoyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)N2CCCC2C(=O)O
InChi [?]:
InChI=1/C12H12ClNO3/c13-9-4-1-3-8(7-9)11(15)14-6-2-5-10(14)12(16)17/h1,3-4,7,10H,2,5-6H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,13,11,4,3,5,14,8,15,7,10,9,16,17/E:(16,17)/rA:17cCCCCCCClCONCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s10s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12ClNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.44375
Area:414.732
Solvation:-2.92455
Coulombic:-44.9102
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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