Chemical ID: 7245318

c1ccc(cc1)C(C(=O)N2CCCC2)Cl
Chemical ID:
7245318
Name [?]:
2-chloro-2-phenyl-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
c1ccc(cc1)C(C(=O)N2CCCC2)Cl
InChi [?]:
InChI=1/C12H14ClNO/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h1-3,6-7,11H,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,4,7,8,15,10,9/E:(2,3)(4,5)(6,7)(8,9)/rA:15cCCCCCCCCONCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s10s13;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClNO
All Atoms:29
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.895
Area:397.627
Solvation:-2.04567
Coulombic:-18.7594
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.698
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.09
LogP (Chemaxon):2.35

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Descriptor Annotations

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