Chemical ID: 5776449

Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
Chemical ID:
5776449
Name [?]:
4-chloro-2-[5-(2-methylbenzooxazol-7-yl)-1H-pyrazol-3-yl]-phenol
SMILES [?]:
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
InChi [?]:
InChI=1/C17H12ClN3O2/c1-9-19-13-4-2-3-11(17(13)23-9)14-8-15(21-20-14)12-7-10(18)5-6-16(12)22/h2-8,22H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,19,20,17,12,2,18,8,16,4,11,13,21,9,23,3,15,14,22,10/rA:23nCCNCCCCCCOCCCNNCCCCCCOCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s8;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.89447
Area:513.713
Solvation:-3.94837
Coulombic:-38.9863
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.749
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.24
LogP (Chemaxon):4.1

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