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Chemical ID: 3965370
Chemical ID:
3965370
Name [?]:
3-(2-aminopropyl)-1H-indol-5-ol
SMILES [?]:
CC(Cc1c[nH]c2c1cc(cc2)O)N
InChi [?]:
InChI=1/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,3,9,5,2,4,10,8,7,14,6,13/rA:14cCCCCCNCCCCCCON/rB:s1;s2;s3;d4;s5;s6;s4s7;d8;s9;d10;d7s11;s10;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.8646 |
Area: | 357.743 |
Solvation: | -2.07898 |
Coulombic: | -39.1522 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.242 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 1.43 |
LogP (Chemaxon): | 0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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