Chemical ID: 4619271

c1ccc2c(c1)-c3nc4ccccc4n3CC(=O)N2
Chemical ID:
4619271
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3nc4ccccc4n3CC(=O)N2
InChi [?]:
InChI=1/C15H11N3O/c19-14-9-18-13-8-4-3-7-12(13)17-15(18)10-5-1-2-6-11(10)16-14/h1-8H,9H2,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,6,3,10,13,16,5,4,9,14,17,7,19,8,15,18/rA:19nCCCCCCCNCCCCCCNCCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;s16;d17;s4s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.86674
Area:406.834
Solvation:-2.3041
Coulombic:-34.4958
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:249.267
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.29
LogP (Chemaxon):3.12

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