Chemical ID: 6451838

c1ccc(cc1)c2c3ccccc3nnn2
Chemical ID:
6451838
Name [?]:
10-phenyl-7,8,9-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaene
SMILES [?]:
c1ccc(cc1)c2c3ccccc3nnn2
InChi [?]:
InChI=1/C13H9N3/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-16-15-13/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,3,5,9,12,4,8,13,7,14,16,15/E:(2,3)(6,7)/rA:16nCCCCCCCCCCCCCNNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.92907
Area:369.707
Solvation:-1.31362
Coulombic:-6.35705
Bond Count [?]
All:18
Single:10
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.231
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.49
LogP (Chemaxon):2.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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