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Chemical ID: 7089872
Chemical ID:
7089872
Name [?]:
N-isopropyl-4-methoxy-aniline
SMILES [?]:
CC(C)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C10H15NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h4-8,11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,12,6,10,7,9,2,5,8,4,11/E:(1,2)(4,5)(6,7)/rA:12nCCCNCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO |
All Atoms: | 27 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51765 |
Area: | 345.946 |
Solvation: | -2.13099 |
Coulombic: | -19.4868 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.232 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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