Chemical ID: 7435468

c1ccc(cc1)Nc2nc3cc(ccc3o2)Cl
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

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