Chemical ID: 4341923

c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)Nc4ccncc4
Chemical ID:
4341923
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)Nc4ccncc4
InChi [?]:
InChI=1/C19H12N2O3/c22-18(21-13-7-9-20-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)24-19(16)23/h1-11H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,20,24,21,23,11,5,19,4,10,12,9,16,13,22,18,17,14,15/E:(7,8)(9,10)/rA:24nCCCCCCCCCCCCCOOCONCCCNCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s12;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.97659
Area:500.121
Solvation:-4.52644
Coulombic:-43.5199
Bond Count [?]
All:27
Single:16
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.31
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.68
LogP (Chemaxon):2.86

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Descriptor Annotations

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