Chemical ID: 6320855

c1ccc(cc1)C=CC(=O)Nc2ccc3c(c2)OCO3
Chemical ID:
6320855
Name [?]:
N-benzo[1,3]dioxol-5-yl-3-phenyl-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=CC(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C16H13NO3/c18-16(9-6-12-4-2-1-3-5-12)17-13-7-8-14-15(10-13)20-11-19-14/h1-10H,11H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,13,14,8,17,19,4,12,15,16,9,11,10,20,18/E:(2,3)(4,5)/rA:20nCCCCCCCCCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.57719
Area:448.279
Solvation:-3.6298
Coulombic:-38.1712
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:267.279
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.02
LogP (Chemaxon):3.38

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