Chemical ID: 5012085

c1cc(sc1)C2CCCCCN2
Chemical ID:
5012085
Name [?]:
2-(2-thienyl)azepane
SMILES [?]:
c1cc(sc1)C2CCCCCN2
InChi [?]:
InChI=1/C10H15NS/c1-2-5-9(11-7-3-1)10-6-4-8-12-10/h4,6,8-9,11H,1-3,5,7H2
InChi Info:
AuxInfo=1/0/N:9,8,10,1,7,2,11,5,6,3,12,4/rA:12cCCCSCCCCCCCN/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;s10;s6s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15NS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.47497
Area:341.896
Solvation:-1.07244
Coulombic:-10.6133
Bond Count [?]
All:13
Single:11
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:181.299
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.92
LogP (Chemaxon):2.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue