Chemical ID: 4679945

Cc1ccc(s1)C2CCCc3c2cccc3
Chemical ID:
4679945
Name [?]:
2-methyl-5-tetralin-1-yl-thiophene
SMILES [?]:
Cc1ccc(s1)C2CCCc3c2cccc3
InChi [?]:
InChI=1/C15H16S/c1-11-9-10-15(16-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,9,16,10,13,8,3,4,2,11,12,7,5,6/rA:16cCCCCCSCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:9.07913
Area:401.47
Solvation:-0.957612
Coulombic:-3.32243
Bond Count [?]
All:18
Single:13
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.354
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.46
LogP (Chemaxon):4.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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