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Chemical ID: 3963965
Chemical ID:
3963965
Name [?]:
1-(4-iodo-2,5-dimethoxy-phenyl)propan-2-amine
SMILES [?]:
CC(Cc1cc(c(cc1OC)I)OC)N
InChi [?]:
InChI=1/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,14,3,5,8,2,4,7,9,6,12,15,10,13/rA:15cCCCCCCCCCOCIOCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s6;s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16INO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.74187 |
Area: | 412.596 |
Solvation: | -3.57302 |
Coulombic: | -26.0317 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.155 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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