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Chemical ID: 7435468
Chemical ID:
7435468
Name [?]:
5-chloro-N-phenyl-benzooxazol-2-amine
SMILES [?]:
c1ccc(cc1)Nc2nc3cc(ccc3o2)Cl
InChi [?]:
InChI=1/C13H9ClN2O/c14-9-6-7-12-11(8-9)16-13(17-12)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,11,12,4,10,15,8,17,7,9,16/E:(2,3)(4,5)/rA:17nCCCCCCNCNCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s12;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9ClN2O |
All Atoms: | 26 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84264 |
Area: | 417.054 |
Solvation: | -1.58372 |
Coulombic: | -28.6887 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 244.676 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.53 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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