Chemical ID: 4278053

c1cc(c(cc1CN2CCCCCC2)Br)F
Chemical ID:
4278053
Name [?]:
1-[(3-bromo-4-fluoro-phenyl)methyl]azepane
SMILES [?]:
c1cc(c(cc1CN2CCCCCC2)Br)F
InChi [?]:
InChI=1/C13H17BrFN/c14-12-9-11(5-6-13(12)15)10-16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2
InChi Info:
AuxInfo=1/0/N:11,12,10,13,1,2,9,14,5,7,6,4,3,15,16,8/E:(1,2)(3,4)(7,8)/rA:16nCCCCCCCNCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s8s13;s4;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17BrFN
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.05429
Area:391.912
Solvation:-1.74351
Coulombic:-10.5215
Bond Count [?]
All:17
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:286.183
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.95
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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