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Chemical ID: 5175043
Chemical ID:
5175043
Name [?]:
3-fluoro-4-pyrrolidin-1-yl-benzaldehyde
SMILES [?]:
c1cc(c(cc1C=O)F)N2CCCC2
InChi [?]:
InChI=1/C11H12FNO/c12-10-7-9(8-14)3-4-11(10)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:12,13,1,2,11,14,5,7,6,4,3,9,10,8/E:(1,2)(5,6)/rA:14nCCCCCCCOFNCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s3;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12FNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.07079 |
Area: | 351.725 |
Solvation: | -3.72233 |
Coulombic: | -17.0341 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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