Chemical ID: 6662870

c1ccc2cc3c(cc2c1)C=Nc4ccccc4N=C3
Chemical ID:
6662870
Name [?]:
None
SMILES [?]:
c1ccc2cc3c(cc2c1)C=Nc4ccccc4N=C3
InChi [?]:
InChI=1/C18H12N2/c1-2-6-14-10-16-12-20-18-8-4-3-7-17(18)19-11-15(16)9-13(14)5-1/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,15,16,10,3,14,17,8,5,11,20,9,4,7,6,13,18,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCCCCCNCCCCCCNC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;w11;s12;s13;d14;s15;d16;d13s17;s18;s6w19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12N2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.576
Area:422.078
Solvation:-1.97594
Coulombic:-13.0573
Bond Count [?]
All:23
Single:13
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:256.301
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.97
LogP (Chemaxon):5.4

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Descriptor Annotations

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