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Chemical ID: 6046623
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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