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Chemical ID: 5249533
Chemical ID:
5249533
Name [?]:
2-(1-methyl-2,3,4,5-tetrahydropyrrol-1-yl)-1-phenyl-ethanol
SMILES [?]:
C[N+]1(CCCC1)CC(c2ccccc2)O
InChi [?]:
InChI=1/C13H20NO/c1-14(9-5-6-10-14)11-13(15)12-7-3-2-4-8-12/h2-4,7-8,13,15H,5-6,9-11H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,11,13,4,5,10,14,3,6,7,9,8,2,15/E:(3,4)(5,6)(7,8)(9,10)/CRV:14+1/rA:15cCN+CCCCCCCCCCCCO/rB:s1;s2;s3;s4;s2s5;s2;s7;s8;s9;d10;s11;d12;d9s13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20NO+ |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -18.9563 |
Area: | 383.894 |
Solvation: | -28.5536 |
Coulombic: | 5.67862 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.4 |
LogP (Chemaxon): | -2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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