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Chemical ID: 5057360
Chemical ID:
5057360
Name [?]:
5-methoxy-2-phenyl-indoline
SMILES [?]:
COc1ccc2c(c1)CC(N2)c3ccccc3
InChi [?]:
InChI=1/C15H15NO/c1-17-13-7-8-14-12(9-13)10-15(16-14)11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,4,5,8,9,12,7,3,6,10,11,2/E:(3,4)(5,6)/rA:17cCOCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.77519 |
Area: | 407.674 |
Solvation: | -2.41667 |
Coulombic: | -20.8416 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 225.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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