Chemical ID: 4560829

COc1ccc(c(c1)OC)C2c3c(c4ccccc4[nH]3)CCN2
Chemical ID:
4560829
Name [?]:
None
SMILES [?]:
COc1ccc(c(c1)OC)C2c3c(c4ccccc4[nH]3)CCN2
InChi [?]:
InChI=1/C19H20N2O2/c1-22-12-7-8-15(17(11-12)23-2)18-19-14(9-10-20-18)13-5-3-4-6-16(13)21-19/h3-8,11,18,20-21H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,17,15,18,4,5,21,22,8,3,14,13,6,19,7,11,12,23,20,2,9/rA:23cCOCCCCCCOCCCCCCCCCCNCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s13;s21;s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.55538
Area:491.703
Solvation:-3.73719
Coulombic:-35.6693
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.374
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.87
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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