Chemical ID: 5206459

c1ccc(cc1)Nn2cnc3c2c4ccccc4cc3
Chemical ID:
5206459
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Nn2cnc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C17H13N3/c1-2-7-14(8-3-1)19-20-12-18-16-11-10-13-6-4-5-9-15(13)17(16)20/h1-12,19H
InChi Info:
AuxInfo=1/0/N:1,2,6,16,15,17,3,5,14,19,20,9,18,4,13,11,12,10,7,8/E:(2,3)(7,8)/rA:20nCCCCCCNNCNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8s11;d12;s13;d14;s15;d16;s13s17;d18;d11s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.96001
Area:435.883
Solvation:-1.93705
Coulombic:-19.6581
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:259.305
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.89
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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