Chemical ID: 6739353

COc1ccc2c(c1)cc3cc(oc3n2)C(=O)NCc4ccc[nH+]c4
Chemical ID:
6739353
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)cc3cc(oc3n2)C(=O)NCc4ccc[nH+]c4
InChi [?]:
InChI=1/C19H15N3O3/c1-24-15-4-5-16-13(8-15)7-14-9-17(25-19(14)22-16)18(23)21-11-12-3-2-6-20-10-12/h2-10H,11H2,1H3,(H,21,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,22,21,4,5,23,9,8,11,25,19,20,7,10,3,6,12,16,14,24,18,15,17,2,13/rA:25nCOCCCCCCCCCCOCNCONCCCCCN+C/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;s10;d11;s12;d10s13;d6s14;s12;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N3O3+
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-23.1408
Area:549.569
Solvation:-36.88
Coulombic:-34.7146
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.69
LogP (Chemaxon):2.02

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Descriptor Annotations

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