Chemical ID: 5012188

c1cc(ccc1C2CCCCCN2)Cl
Chemical ID:
5012188
Name [?]:
2-(4-chlorophenyl)azepane
SMILES [?]:
c1cc(ccc1C2CCCCCN2)Cl
InChi [?]:
InChI=1/C12H16ClN/c13-11-7-5-10(6-8-11)12-4-2-1-3-9-14-12/h5-8,12,14H,1-4,9H2
InChi Info:
AuxInfo=1/0/N:10,9,11,8,1,5,2,4,12,6,3,7,14,13/E:(5,6)(7,8)/rA:14cCCCCCCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s7s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClN
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.81733
Area:382.232
Solvation:-0.73847
Coulombic:-11.5968
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:209.715
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.48
LogP (Chemaxon):3.28

Name Annotations

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Descriptor Annotations

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