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Chemical ID: 4731830
Chemical ID:
4731830
Name [?]:
methyl 3-amino-4-isopropylamino-benzoate
SMILES [?]:
CC(C)Nc1ccc(cc1N)C(=O)OC
InChi [?]:
InChI=1/C11H16N2O2/c1-7(2)13-10-5-4-8(6-9(10)12)11(14)15-3/h4-7,13H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,15,7,6,9,2,8,10,5,12,11,4,13,14/E:(1,2)/rA:15nCCCNCCCCCCNCOOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s8;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06657 |
Area: | 401.393 |
Solvation: | -1.96827 |
Coulombic: | -48.0381 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.257 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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