Chemical ID: 4815347

Cc1cccc(c1)C=Cc2[nH]c(=O)c3ccccc3n2
Chemical ID:
4815347
Name [?]:
2-[2-(m-tolyl)vinyl]-3H-quinazolin-4-one
SMILES [?]:
Cc1cccc(c1)C=Cc2[nH]c(=O)c3ccccc3n2
InChi [?]:
InChI=1/C17H14N2O/c1-12-5-4-6-13(11-12)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,17,4,3,5,15,18,8,9,7,2,6,14,19,10,12,20,11,13/rA:20nCCCCCCCCCCNCOCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;d10s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.82577
Area:427.029
Solvation:-1.84994
Coulombic:-29.0635
Bond Count [?]
All:22
Single:13
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:262.306
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.36
LogP (Chemaxon):3.71

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