Chemical ID: 4508281

CC(C)CNC(=O)c1cccc2c1c(ccc2)C(=O)O
Chemical ID:
4508281
Name [?]:
8-(isobutylcarbamoyl)naphthalene-1-carboxylic acid
SMILES [?]:
CC(C)CNC(=O)c1cccc2c1c(ccc2)C(=O)O
InChi [?]:
InChI=1/C16H17NO3/c1-10(2)9-17-15(18)12-7-3-5-11-6-4-8-13(14(11)12)16(19)20/h3-8,10H,9H2,1-2H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,10,16,11,17,9,15,4,2,12,8,14,13,6,18,5,7,19,20/E:(1,2)(19,20)/rA:20nCCCCNCOCCCCCCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s14;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.66278
Area:445.344
Solvation:-2.47083
Coulombic:-50.8986
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.311
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):2.68

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