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Chemical ID: 4253544
Chemical ID:
4253544
Name [?]:
2-phenethylpyrrolidine
SMILES [?]:
c1ccc(cc1)CCC2CCCN2
InChi [?]:
InChI=1/C12H17N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,12-13H,4,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,10,7,8,12,4,9,13/E:(2,3)(5,6)/rA:13cCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.19675 |
Area: | 365.499 |
Solvation: | -0.94072 |
Coulombic: | -10.9342 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 175.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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