Chemical ID: 4910544

CC(c1ccc2c(c1)nc(o2)c3ccc(cc3)Cl)C(=O)O
Chemical ID:
4910544
Name [?]:
2-[2-(4-chlorophenyl)benzooxazol-5-yl]propanoic acid
SMILES [?]:
CC(c1ccc2c(c1)nc(o2)c3ccc(cc3)Cl)C(=O)O
InChi [?]:
InChI=1/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,17,4,14,16,5,8,2,12,3,15,7,6,10,19,18,9,20,21,11/E:(2,3)(5,6)(19,20)/rA:21cCCCCCCCCNCOCCCCCCClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;d13;s14;d15;d12s16;s15;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.77238
Area:494.349
Solvation:-2.58635
Coulombic:-42.912
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.724
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.42
LogP (Chemaxon):4.73

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