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Chemical ID: 5754672
Chemical ID:
5754672
Name [?]:
1-butoxy-3-pyrrolidin-1-yl-propan-2-ol
SMILES [?]:
CCCCOCC(CN1CCCC1)O
InChi [?]:
InChI=1/C11H23NO2/c1-2-3-8-14-10-11(13)9-12-6-4-5-7-12/h11,13H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,12,10,13,4,8,6,7,9,14,5/E:(4,5)(6,7)/rA:14cCCCCOCCCNCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s9s12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H23NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.05682 |
Area: | 416.373 |
Solvation: | -4.3525 |
Coulombic: | -29.0988 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 201.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.06 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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