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Chemical ID: 5069341
Chemical ID:
5069341
Name [?]:
2-(4-methylpyrrolidin-2-yl)phenol
SMILES [?]:
CC1CC(NC1)c2ccccc2O
InChi [?]:
InChI=1/C11H15NO/c1-8-6-10(12-7-8)9-4-2-3-5-11(9)13/h2-5,8,10,12-13H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,3,6,2,7,4,12,5,13/rA:13cCCCCNCCCCCCCO/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.10546 |
Area: | 346.671 |
Solvation: | -1.5613 |
Coulombic: | -26.5491 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.03 |
LogP (Chemaxon): | 0.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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