Chemical ID: 5220621

Cc1c(=O)c(c2ccccn2n1)c3ccccc3
Chemical ID:
5220621
Name [?]:
8-methyl-10-phenyl-6,7-diazabicyclo[4.4.0]deca-2,4,7,10-tetraen-9-one
SMILES [?]:
Cc1c(=O)c(c2ccccn2n1)c3ccccc3
InChi [?]:
InChI=1/C15H12N2O/c1-11-15(18)14(12-7-3-2-4-8-12)13-9-5-6-10-17(13)16-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,8,9,14,18,7,10,2,13,6,5,3,12,11,4/E:(3,4)(7,8)/rA:18nCCCOCCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s6s10;d2s11;s5;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.07795
Area:404.388
Solvation:-2.03175
Coulombic:-15.4055
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.269
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.63
LogP (Chemaxon):3.2

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