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Chemical ID: 4960146
Chemical ID:
4960146
Name [?]:
1-[(2-chlorophenyl)methyl]pyrrolidine
SMILES [?]:
c1ccc(c(c1)CN2CCCC2)Cl
InChi [?]:
InChI=1/C11H14ClN/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,3,9,12,7,5,4,13,8/E:(3,4)(7,8)/rA:13nCCCCCCCNCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79405 |
Area: | 355.814 |
Solvation: | -1.10131 |
Coulombic: | -7.01708 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.688 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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