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Chemical ID: 4915485
Chemical ID:
4915485
Name [?]:
4-(2-methyl-1H-indol-3-yl)phthalazin-1-ol
SMILES [?]:
Cc1c(c2ccccc2[nH]1)c3c4ccccc4c(nn3)O
InChi [?]:
InChI=1/C17H13N3O/c1-10-15(13-8-4-5-9-14(13)18-10)16-11-6-2-3-7-12(11)17(21)20-19-16/h2-9,18H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,14,15,6,7,13,16,5,8,2,12,17,4,9,3,11,18,10,20,19,21/rA:21nCCCCCCCCCNCCCCCCCCNNO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75525 |
Area: | 442.18 |
Solvation: | -2.29925 |
Coulombic: | -33.8343 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 275.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.86 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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