Chemical ID: 4298149

COc1ccc(cc1)C=CC(=O)c2cccc(c2)N
Chemical ID:
4298149
Name [?]:
1-(3-aminophenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1)C=CC(=O)c2cccc(c2)N
InChi [?]:
InChI=1/C16H15NO2/c1-19-15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-11H,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,5,7,9,4,8,10,18,6,13,17,3,11,19,12,2/E:(5,6)(8,9)/rA:19nCOCCCCCCCCCOCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.59899
Area:446.693
Solvation:-3.56835
Coulombic:-33.4581
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:253.296
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.95
LogP (Chemaxon):2.98

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