Chemical ID: 5221972

CCC1(c2c(c3ccc(c(c3[nH]2)C)F)CCO1)CC(=O)O
Chemical ID:
5221972
Name [?]:
None
SMILES [?]:
CCC1(c2c(c3ccc(c(c3[nH]2)C)F)CCO1)CC(=O)O
InChi [?]:
InChI=1/C16H18FNO3/c1-3-16(8-13(19)20)15-11(6-7-21-16)10-4-5-12(17)9(2)14(10)18-15/h4-5,18H,3,6-8H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,2,7,8,15,16,18,10,6,5,9,19,11,4,3,14,12,20,21,17/E:(19,20)/rA:21cCCCCCCCCCCCNCFCCOCCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s10;s9;s5;s15;s3s16;s3;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18FNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.25386
Area:439.109
Solvation:-3.72387
Coulombic:-49.1953
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.317
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):2.88

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