Chemical ID: 4513021

Cc1cc(cc2n1nnn2)O
Chemical ID:
4513021
Name [?]:
5-methyl-6,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-3-ol
SMILES [?]:
Cc1cc(cc2n1nnn2)O
InChi [?]:
InChI=1/C6H6N4O/c1-4-2-5(11)3-6-7-8-9-10(4)6/h2-3,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,5,2,4,6,10,9,8,7,11/rA:11nCCCCCCNNNNO/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.42729
Area:292.109
Solvation:-1.87544
Coulombic:-19.9445
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:-0.42
LogP (Chemaxon):0.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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