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Chemical ID: 7245318
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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