Chemical ID: 6198907

c1ccc(cc1)N2C3=CNc4ccccc4NC3=NC2=O
Chemical ID:
6198907
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2C3=CNc4ccccc4NC3=NC2=O
InChi [?]:
InChI=1/C16H12N4O/c21-16-19-15-14(20(16)11-6-2-1-3-7-11)10-17-12-8-4-5-9-13(12)18-15/h1-10,17H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,15,9,4,11,16,8,18,20,10,17,19,7,21/E:(2,3)(6,7)/rA:21nCCCCCCNCCNCCCCCCNCNCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;s11;d12;s13;d14;d11s15;s16;s8s17;d18;s7s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N4O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.34026
Area:447.296
Solvation:-1.84215
Coulombic:-49.2487
Bond Count [?]
All:24
Single:15
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:276.293
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.71
LogP (Chemaxon):2.61

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