Chemical ID: 5375442

c1ccc(cc1)C2c3nnnn3-c4ccccc4C2=O
Chemical ID:
5375442
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3nnnn3-c4ccccc4C2=O
InChi [?]:
InChI=1/C15H10N4O/c20-14-11-8-4-5-9-12(11)19-15(16-17-18-19)13(14)10-6-2-1-3-7-10/h1-9,13H
InChi Info:
AuxInfo=1/0/N:1,2,6,16,15,3,5,17,14,4,18,13,7,19,8,9,10,11,12,20/E:(2,3)(6,7)/rA:20cCCCCCCCCNNNNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s7s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10N4O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.30667
Area:424.073
Solvation:-2.29516
Coulombic:-14.5196
Bond Count [?]
All:23
Single:14
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:262.266
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.61
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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