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Chemical ID: 4990798
Chemical ID:
4990798
Name [?]:
N-ethyl-3-hydroxy-N-phenyl-naphthalene-2-carboxamide
SMILES [?]:
CCN(c1ccccc1)C(=O)c2cc3ccccc3cc2O
InChi [?]:
InChI=1/C19H17NO2/c1-2-20(16-10-4-3-5-11-16)19(22)17-12-14-8-6-7-9-15(14)13-18(17)21/h3-13,21H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,16,17,15,18,5,9,13,20,14,19,4,12,21,10,3,22,11/E:(4,5)(10,11)/rA:22nCCNCCCCCCCOCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;d13;s14;d15;s16;d17;s14s18;d19;d12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03044 |
Area: | 473.47 |
Solvation: | -2.80631 |
Coulombic: | -35.6522 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.85 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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