Chemical ID: 4448090

c1cc(cc(c1)F)NC=C2CCCCC2=O
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

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Descriptor Annotations

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