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Chemical ID: 4915471
Chemical ID:
4915471
Name [?]:
2-(1H-indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol
SMILES [?]:
CC1(CC(=CC2=Nc3ccccc3C21O)c4c[nH]c5c4cccc5)C
InChi [?]:
InChI=1/C22H20N2O/c1-21(2)12-14(16-13-23-18-9-5-3-7-15(16)18)11-20-22(21,25)17-8-4-6-10-19(17)24-20/h3-11,13,23,25H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,22,11,23,10,21,12,24,9,5,3,17,4,20,16,13,19,8,6,2,14,18,7,15/E:(1,2)/rA:25cCCCCCCNCCCCCCCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;d8s12;s2s6s13;s14;s4;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4281 |
Area: | 507.237 |
Solvation: | -2.2528 |
Coulombic: | -37.4743 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 328.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.28 |
LogP (Chemaxon): | 5.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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