Chemical ID: 5253228

COc1cc(ccc1O)C=C(C#N)c2ccccc2
Chemical ID:
5253228
Name [?]:
3-(4-hydroxy-3-methoxy-phenyl)-2-phenyl-prop-2-enenitrile
SMILES [?]:
COc1cc(ccc1O)C=C(C#N)c2ccccc2
InChi [?]:
InChI=1/C16H13NO2/c1-19-16-10-12(7-8-15(16)18)9-14(11-17)13-5-3-2-4-6-13/h2-10,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,6,7,10,4,12,5,14,11,8,3,13,9,2/E:(3,4)(5,6)/rA:19nCOCCCCCCOCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;t12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.40952
Area:452.648
Solvation:-3.90668
Coulombic:-29.0916
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:251.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.45

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