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Chemical ID: 4448090
Chemical ID:
4448090
Name [?]:
2-[(3-fluorophenyl)aminomethylene]cyclohexan-1-one
SMILES [?]:
c1cc(cc(c1)F)NC=C2CCCCC2=O
InChi [?]:
InChI=1/C13H14FNO/c14-11-5-3-6-12(8-11)15-9-10-4-1-2-7-13(10)16/h3,5-6,8-9,15H,1-2,4,7H2
InChi Info:
AuxInfo=1/0/N:12,13,1,11,6,2,14,4,9,10,5,3,15,7,8,16/rA:16nCCCCCCFNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;w9;s10;s11;s12;s13;s10s14;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14FNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.09792 |
Area: | 394.603 |
Solvation: | -2.76715 |
Coulombic: | -22.9356 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 219.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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