Chemical ID: 6498303

c1ccc(cc1)C=CC(=O)c2c[nH]c3c2cccc3
Chemical ID:
6498303
Name [?]:
1-(1H-indol-3-yl)-3-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)c2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C17H13NO/c19-17(11-10-13-6-2-1-3-7-13)15-12-18-16-9-5-4-8-14(15)16/h1-12,18H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,18,3,5,16,19,7,8,12,4,15,11,14,9,13,10/E:(2,3)(6,7)/rA:19nCCCCCCCCCOCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;d11;s12;s13;s11s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.37105
Area:430.858
Solvation:-2.40039
Coulombic:-21.7371
Bond Count [?]
All:21
Single:12
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:247.291
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.92
LogP (Chemaxon):4.41

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