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Chemical ID: 6640818
Chemical ID:
6640818
Name [?]:
N-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]naphthalene-1-carboxamide
SMILES [?]:
CC(CO)(CO)NC(=O)c1cccc2c1cccc2
InChi [?]:
InChI=1/C15H17NO3/c1-15(9-17,10-18)16-14(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,17-18H,9-10H2,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,12,19,13,16,11,3,5,14,15,10,8,2,7,4,6,9/E:(9,10)(17,18)/rA:19nCCCOCONCOCCCCCCCCCC/rB:s1;s2;s3;s2;s5;s2;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4941 |
Area: | 435.063 |
Solvation: | -3.38247 |
Coulombic: | -57.9768 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 259.3 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.73 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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