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Chemical ID: 5009359
Chemical ID:
5009359
Name [?]:
2-[(3-chlorophenyl)methyl]pyrrolidine
SMILES [?]:
c1cc(cc(c1)Cl)CC2CCCN2
InChi [?]:
InChI=1/C11H14ClN/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h1,3-4,7,11,13H,2,5-6,8H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,4,8,3,5,9,7,13/rA:13cCCCCCCClCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.37183 |
Area: | 370.197 |
Solvation: | -0.883089 |
Coulombic: | -10.8588 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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