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Chemical ID: 3965049
Chemical ID:
3965049
Name [?]:
3-(2-aminoethyl)-1H-indole-5-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
InChi [?]:
InChI=1/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,5,11,6,10,4,3,7,15,9,12,8/rA:15nCCCCCCCONCCNCCN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s3s11;s10;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38469 |
Area: | 386.445 |
Solvation: | -2.27645 |
Coulombic: | -48.8558 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.241 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | 0.26 |
LogP (Chemaxon): | 0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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