Chemical ID: 6494501

c1cc2=CC=CNc2c3c1=CC=CN3
Chemical ID:
6494501
Name [?]:
None
SMILES [?]:
c1cc2=CC=CNc2c3c1=CC=CN3
InChi [?]:
InChI=1/C12H10N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8,13-14H
InChi Info:
AuxInfo=1/0/N:5,12,4,11,2,1,6,13,3,10,8,9,7,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCCCNCCCCCCN/rB:d1;s2;d3;s4;d5;s6;s3s7;d8;s1s9;d10;s11;d12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.77642
Area:336.496
Solvation:-1.63599
Coulombic:-23.0497
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:182.221
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.6
LogP (Chemaxon):1.93

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