Chemical ID: 5012509

c1ccc(c(c1)CC2CCCCCN2)F
Chemical ID:
5012509
Name [?]:
2-[(2-fluorophenyl)methyl]azepane
SMILES [?]:
c1ccc(c(c1)CC2CCCCCN2)F
InChi [?]:
InChI=1/C13H18FN/c14-13-8-4-3-6-11(13)10-12-7-2-1-5-9-15-12/h3-4,6,8,12,15H,1-2,5,7,9-10H2
InChi Info:
AuxInfo=1/0/N:11,10,1,2,12,6,9,3,13,7,5,8,4,15,14/rA:15cCCCCCCCCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s8s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18FN
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.82663
Area:373.602
Solvation:-1.51343
Coulombic:-14.9016
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.287
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.11
LogP (Chemaxon):3.15

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Experimental Annotations

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Descriptor Annotations

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