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Chemical ID: 5035205
Chemical ID:
5035205
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)-c3cccc4c3c2cnc4
InChi [?]:
InChI=1/C15H9N/c1-2-6-12-11(5-1)13-7-3-4-10-8-16-9-14(12)15(10)13/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,9,10,6,3,8,16,14,11,5,4,7,13,12,15/rA:16nCCCCCCCCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62084 |
Area: | 359.919 |
Solvation: | -1.37714 |
Coulombic: | -7.16996 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 203.239 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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