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Chemical ID: 6699379
Chemical ID:
6699379
Name [?]:
5-(2-naphthylamino)-5-oxo-pentanoate
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)CCCC(=O)[O-]
InChi [?]:
InChI=1/C15H15NO3/c17-14(6-3-7-15(18)19)16-13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10H,3,6-7H2,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,15,10,3,14,16,8,7,5,9,4,6,12,17,11,13,18,19/E:(18,19)/rA:19nCCCCCCCCCCNCOCCCCOO-/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14NO3- |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.72 |
Area: | 460.007 |
Solvation: | -45.2202 |
Coulombic: | -18.5296 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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