Chemical ID: 5057360

COc1ccc2c(c1)CC(N2)c3ccccc3
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

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Experimental Annotations

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Descriptor Annotations

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