Chemical ID: 7964116

c1ccc2c(c1)n(c(=O)o2)Cc3ccc(cc3)F
Chemical ID:
7964116
Name [?]:
3-[(4-fluorophenyl)methyl]benzooxazol-2-one
SMILES [?]:
c1ccc2c(c1)n(c(=O)o2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C14H10FNO2/c15-11-7-5-10(6-8-11)9-16-12-3-1-2-4-13(12)18-14(16)17/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,17,14,16,11,12,15,5,4,8,18,7,9,10/E:(5,6)(7,8)/rA:18nCCCCCCNCOOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;s7;s11;s12;d13;s14;d15;d12s16;s15;/rC:-.0167,1.3771,.0096;1.1702,2.0892,.0021;2.3813,1.4255,-.013;2.4102,.0397,-.0208;1.2138,-.677,-.0132;.0021,-.0041,.002;1.5586,-2.0283,-.0238;2.9042,-2.1029,-.037;3.5503,-3.1329,-.0488;3.4206,-.8639,-.0353;.6281,-3.1599,-.0203;.2947,-3.5404,-1.4398;-.7797,-2.9501,-2.0789;-1.0861,-3.298,-3.3808;-.3168,-4.2382,-4.045;.759,-4.8287,-3.4039;1.0668,-4.4754,-2.1037;-.6157,-4.5793,-5.3176;

Chemical Details

Atom Count
Formula:C14H18BrNO2
All Atoms:28
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.20188
Area:397.92
Solvation:-2.74612
Coulombic:-34.2211
Bond Count [?]
All:30
Single:23
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:243.233
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.0
LogP (Chemaxon):4.39

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Descriptor Annotations

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