Chemical ID: 4085998

CC1(c2c(c3ccccc3[nH]2)CC(N1)C(=O)O)C
Chemical ID:
4085998
Name [?]:
None
SMILES [?]:
CC1(c2c(c3ccccc3[nH]2)CC(N1)C(=O)O)C
InChi [?]:
InChI=1/C14H16N2O2/c1-14(2)12-9(7-11(16-14)13(17)18)8-5-3-4-6-10(8)15-12/h3-6,11,15-16H,7H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,7,8,6,9,12,5,4,10,13,3,15,2,11,14,16,17/E:(1,2)(17,18)/rA:18cCCCCCCCCCCNCCNCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;s2s13;s13;d15;s15;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.89268
Area:411.688
Solvation:-2.39952
Coulombic:-47.2154
Bond Count [?]
All:20
Single:15
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:244.289
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.58
LogP (Chemaxon):-0.49

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