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Chemical ID: 4515635
Chemical ID:
4515635
Name [?]:
3-(2-dimethylaminoethyl)-1H-indol-5-ol
SMILES [?]:
CN(C)CCc1c[nH]c2c1cc(cc2)O
InChi [?]:
InChI=1/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,14,5,4,11,7,6,12,10,9,8,2,15/E:(1,2)/rA:15nCNCCCCCNCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49225 |
Area: | 392.489 |
Solvation: | -2.31998 |
Coulombic: | -31.8352 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 204.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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