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Chemical ID: 4178883
Chemical ID:
4178883
Name [?]:
N-[(4-methoxy-1-naphthyl)methyl]-1H-indazol-5-amine
SMILES [?]:
COc1ccc(c2c1cccc2)CNc3ccc4c(c3)cn[nH]4
InChi [?]:
InChI=1/C19H17N3O/c1-23-19-9-6-13(16-4-2-3-5-17(16)19)11-20-15-7-8-18-14(10-15)12-21-22-18/h2-10,12,20H,11H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,5,16,17,4,20,13,21,6,19,15,7,8,18,3,14,22,23,2/rA:23nCOCCCCCCCCCCCNCCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;s6;s13;s14;s15;d16;s17;d18;d15s19;s19;d21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03716 |
Area: | 506.093 |
Solvation: | -3.61516 |
Coulombic: | -29.857 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.68 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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