General Information of the Compound
| Compound ID |
CP0477809
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| Compound Name |
1-isothiocyanatopentadecane
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| Structure |
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| Formula |
C16H31NS
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| Molecular Weight |
269.498
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| Canonical SMILES |
CCCCCCCCCCCCCCCN=C=S
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| InChI |
InChI=1S/C16H31NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18/h2-15H2,1H3
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| InChIKey |
VIPXCTZOJNIPQS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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