Chemical ID: 6650027

CC(=O)NN=Cc1ccc(cc1)OC(=O)C=Cc2ccccc2
Chemical ID:
6650027
Name [?]:
[4-(acetamidoiminomethyl)phenyl] 3-phenylprop-2-enoate
SMILES [?]:
CC(=O)NN=Cc1ccc(cc1)OC(=O)C=Cc2ccccc2
InChi [?]:
InChI=1/C18H16N2O3/c1-14(21)20-19-13-16-7-10-17(11-8-16)23-18(22)12-9-15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,8,12,17,9,11,16,6,2,18,7,10,14,5,4,3,15,13/E:(3,4)(5,6)(7,8)(10,11)/rA:23nCCONNCCCCCCCOCOCCCCCCCC/rB:s1;d2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.42547
Area:522.645
Solvation:-4.64066
Coulombic:-37.3011
Bond Count [?]
All:24
Single:14
Double:10
Rotors:7
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:308.331
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):3.33

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