Chemical ID: 4171864

c1cc(cc(c1)F)CN2CCCCCC2
Chemical ID:
4171864
Name [?]:
1-[(3-fluorophenyl)methyl]azepane
SMILES [?]:
c1cc(cc(c1)F)CN2CCCCCC2
InChi [?]:
InChI=1/C13H18FN/c14-13-7-5-6-12(10-13)11-15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11H2
InChi Info:
AuxInfo=1/0/N:12,13,11,14,1,2,6,10,15,4,8,3,5,7,9/E:(1,2)(3,4)(8,9)/rA:15nCCCCCCFCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18FN
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.32363
Area:362.276
Solvation:-1.73327
Coulombic:-10.7114
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.287
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.16
LogP (Chemaxon):3.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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