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Chemical ID: 4756851
Chemical ID:
4756851
Name [?]:
1-phenyl-2-pyrrolidin-1-yl-ethanol
SMILES [?]:
c1ccc(cc1)C(CN2CCCC2)O
InChi [?]:
InChI=1/C12H17NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,8,4,7,9,14/E:(2,3)(4,5)(6,7)(8,9)/rA:14cCCCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s9s12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.92596 |
Area: | 374.528 |
Solvation: | -2.43724 |
Coulombic: | -23.277 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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