Chemical ID: 5012096

c1cnccc1C2CCCCCN2
Chemical ID:
5012096
Name [?]:
2-(4-pyridyl)azepane
SMILES [?]:
c1cnccc1C2CCCCCN2
InChi [?]:
InChI=1/C11H16N2/c1-2-4-11(13-7-3-1)10-5-8-12-9-6-10/h5-6,8-9,11,13H,1-4,7H2
InChi Info:
AuxInfo=1/0/N:10,9,11,8,1,5,12,2,4,6,7,3,13/E:(5,6)(8,9)/rA:13cCCNCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s7s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.19826
Area:344.267
Solvation:-1.40841
Coulombic:-14.1016
Bond Count [?]
All:14
Single:11
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.258
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.61
LogP (Chemaxon):1.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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