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Chemical ID: 4729209
Chemical ID:
4729209
Name [?]:
None
SMILES [?]:
Cc1cc(nc2c1c3ccccc3cc2)Cl
InChi [?]:
InChI=1/C14H10ClN/c1-9-8-13(15)16-12-7-6-10-4-2-3-5-11(10)14(9)12/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,14,15,3,2,13,8,6,4,7,16,5/rA:16nCCCCNCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s13;s6d14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10ClN |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52088 |
Area: | 383.696 |
Solvation: | -1.07152 |
Coulombic: | -8.63834 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 227.689 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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