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Chemical ID: 6662870
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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