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Chemical ID: 4203865
Chemical ID:
4203865
Name [?]:
N-isopropylnaphthalene-2-carboxamide
SMILES [?]:
CC(C)NC(=O)c1ccc2ccccc2c1
InChi [?]:
InChI=1/C14H15NO/c1-10(2)15-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,11,14,9,8,16,2,10,15,7,5,4,6/E:(1,2)/rA:16nCCCNCOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.45511 |
Area: | 401.422 |
Solvation: | -1.58044 |
Coulombic: | -24.1704 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.275 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.58 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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