Chemical ID: 4178883

COc1ccc(c2c1cccc2)CNc3ccc4c(c3)cn[nH]4
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

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Descriptor Annotations

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