ChemDB: Chemical Search
Download
Chemical ID: 5053196
Chemical ID:
5053196
Name [?]:
3-(7-chloro-1H-indol-3-yl)propan-1-amine
SMILES [?]:
c1cc2c(c[nH]c2c(c1)Cl)CCCN
InChi [?]:
InChI=1/C11H13ClN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2
InChi Info:
AuxInfo=1/0/N:1,12,11,2,9,13,5,4,3,8,7,10,14,6/rA:14nCCCCCNCCCClCCCN/rB:s1;d2;s3;d4;s5;s3s6;d7;d1s8;s8;s4;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13ClN2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4731 |
Area: | 390.438 |
Solvation: | -1.28785 |
Coulombic: | -24.8815 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.687 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.35 |
LogP (Chemaxon): | 2.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|