Chemical ID: 4396706

c1cc(ccc1CC(=O)N2CCCCCC2)F
Chemical ID:
4396706
Name [?]:
1-azepan-1-yl-2-(4-fluorophenyl)-ethanone
SMILES [?]:
c1cc(ccc1CC(=O)N2CCCCCC2)F
InChi [?]:
InChI=1/C14H18FNO/c15-13-7-5-12(6-8-13)11-14(17)16-9-3-1-2-4-10-16/h5-8H,1-4,9-11H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,1,5,2,4,11,16,7,6,3,8,17,10,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s10s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18FNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.2564
Area:405.635
Solvation:-2.88447
Coulombic:-20.3911
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:235.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.76
LogP (Chemaxon):2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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