Chemical ID: 4709536

c1ccc(cc1)c2nnc3n2CCCC3
Chemical ID:
4709536
Name [?]:
7-phenyl-6,8,9-triazabicyclo[4.3.0]nona-7,9-diene
SMILES [?]:
c1ccc(cc1)c2nnc3n2CCCC3
InChi [?]:
InChI=1/C12H13N3/c1-2-6-10(7-3-1)12-14-13-11-8-4-5-9-15(11)12/h1-3,6-7H,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,3,5,15,12,4,10,7,9,8,11/E:(2,3)(6,7)/rA:15nCCCCCCCNNCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.52698
Area:360.879
Solvation:-1.49499
Coulombic:-12.3229
Bond Count [?]
All:17
Single:12
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:199.252
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.88
LogP (Chemaxon):1.79

Name Annotations

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Descriptor Annotations

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