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351893-99-7 molecular structure
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(2E)-2-cyano-N-cyclohexyl-3-(3-hydroxyphenyl)prop-2-enamide

ChemBase ID: 311230
Molecular Formular: C16H18N2O2
Molecular Mass: 270.32632
Monoisotopic Mass: 270.13682783
SMILES and InChIs

SMILES:
C(=C\c1cc(O)ccc1)(/C(=O)NC1CCCCC1)\C#N
Canonical SMILES:
N#C/C(=C\c1cccc(c1)O)/C(=O)NC1CCCCC1
InChI:
InChI=1S/C16H18N2O2/c17-11-13(9-12-5-4-8-15(19)10-12)16(20)18-14-6-2-1-3-7-14/h4-5,8-10,14,19H,1-3,6-7H2,(H,18,20)/b13-9+
InChIKey:
KQZVZLBNHAPQHA-UKTHLTGXSA-N

Cite this record

CBID:311230 http://www.chembase.cn/molecule-311230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-2-cyano-N-cyclohexyl-3-(3-hydroxyphenyl)prop-2-enamide
IUPAC Traditional name
(2E)-2-cyano-N-cyclohexyl-3-(3-hydroxyphenyl)prop-2-enamide
Synonyms
(2E)-2-cyano-N-cyclohexyl-3-(3-hydroxyphenyl)acrylamide
CAS Number
351893-99-7
MDL Number
MFCD01801073

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8601942  LogD (pH = 7.4) 2.8455887 
Log P 2.8603835  Molar Refractivity 77.8275 cm3
Polarizability 29.496973 Å3 Polar Surface Area 73.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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