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Chemical ID: 5058484
Chemical ID:
5058484
Name [?]:
2-(4-methoxy-3-methyl-phenyl)indoline
SMILES [?]:
Cc1cc(ccc1OC)C2Cc3ccccc3N2
InChi [?]:
InChI=1/C16H17NO/c1-11-9-13(7-8-16(11)18-2)15-10-12-5-3-4-6-14(12)17-15/h3-9,15,17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,14,15,13,16,5,6,3,11,2,12,4,17,10,7,18,8/rA:18cCCCCCCCOCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;s10;s11;s12;d13;s14;d15;d12s16;s10s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.33406 |
Area: | 426.923 |
Solvation: | -2.33902 |
Coulombic: | -20.8579 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 239.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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