Chemical ID: 6640818

CC(CO)(CO)NC(=O)c1cccc2c1cccc2
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

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