Chemical ID: 5641673

c1ccc2c(c1)cccc2C3=NC(=Cc4cccnc4)C(=O)O3
Chemical ID:
5641673
Name [?]:
2-(1-naphthyl)-4-(3-pyridylmethylene)oxazol-5-one
SMILES [?]:
c1ccc2c(c1)cccc2C3=NC(=Cc4cccnc4)C(=O)O3
InChi [?]:
InChI=1/C19H12N2O2/c22-19-17(11-13-5-4-10-20-12-13)21-18(23-19)16-9-3-7-14-6-1-2-8-15(14)16/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,8,17,16,6,7,3,9,18,14,20,15,5,4,10,13,11,21,19,12,22,23/rA:23nCCCCCCCCCCCNCCCCCCNCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s13;d21;s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.21613
Area:466.572
Solvation:-2.44817
Coulombic:-33.4535
Bond Count [?]
All:26
Single:15
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:300.311
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.35

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Descriptor Annotations

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