Chemical ID: 4670607

c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
Chemical ID:
4670607
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
InChi [?]:
InChI=1/C18H13N/c1-2-6-14(7-3-1)18-16-11-5-9-13-8-4-10-15(12-19-18)17(13)16/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,18,3,5,13,19,11,17,9,14,4,10,16,15,7,8/E:(2,3)(6,7)/rA:19nCCCCCCCNCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.75317
Area:412.314
Solvation:-1.55468
Coulombic:-9.69676
Bond Count [?]
All:22
Single:13
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:243.303
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.39
LogP (Chemaxon):4.42

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Descriptor Annotations

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