Chemical ID: 6725628

c1ccc2c(c1)cccc2NC(=O)CCCC(=O)[O-]
Chemical ID:
6725628
Name [?]:
5-(1-naphthylamino)-5-oxo-pentanoate
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)CCCC(=O)[O-]
InChi [?]:
InChI=1/C15H15NO3/c17-14(9-4-10-15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,8,15,6,7,3,9,14,16,5,4,10,12,17,11,13,18,19/E:(18,19)/rA:19nCCCCCCCCCCNCOCCCCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14NO3-
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-33.7481
Area:456.713
Solvation:-45.1659
Coulombic:-18.9569
Bond Count [?]
All:20
Single:13
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:256.277
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.79
LogP (Chemaxon):2.56

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