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Chemical ID: 4957134
Chemical ID:
4957134
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)-c3cccc4c3c2cc(n4)Cl
InChi [?]:
InChI=1/C15H8ClN/c16-14-8-12-10-5-2-1-4-9(10)11-6-3-7-13(17-14)15(11)12/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,9,6,3,8,10,14,5,4,7,13,11,15,12,17,16/rA:17nCCCCCCCCCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;d13;s14;s11d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8ClN |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80258 |
Area: | 395.564 |
Solvation: | -1.08651 |
Coulombic: | -8.76586 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 237.683 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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