Chemical ID: 6046623

Cn1c2cc(cnc2nc1NO)c3ccccc3
Chemical ID:
6046623
Name [?]:
N-(9-methyl-3-phenyl-5,7,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-8-yl)hydroxylamine
SMILES [?]:
Cn1c2cc(cnc2nc1NO)c3ccccc3
InChi [?]:
InChI=1/C13H12N4O/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-18/h2-8,18H,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,4,6,13,5,3,8,10,7,9,11,2,12/E:(3,4)(5,6)/rA:18nCNCCCCNCNCNOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;s11;s5;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N4O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.73122
Area:419.476
Solvation:-3.75567
Coulombic:-38.8539
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.261
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.84
LogP (Chemaxon):2.01

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