Chemical ID: 5574724

COc1ccc(cc1OC)CC2c3c(c4ccccc4[nH]3)CCN2
Chemical ID:
5574724
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)CC2c3c(c4ccccc4[nH]3)CCN2
InChi [?]:
InChI=1/C20H22N2O2/c1-23-18-8-7-13(12-19(18)24-2)11-17-20-15(9-10-21-17)14-5-3-4-6-16(14)22-20/h3-8,12,17,21-22H,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,18,16,19,5,4,22,23,11,7,6,15,14,20,12,3,8,13,24,21,2,9/rA:24cCOCCCCCCOCCCCCCCCCCCNCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s14;s22;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.08602
Area:523.476
Solvation:-5.00088
Coulombic:-35.0392
Bond Count [?]
All:27
Single:20
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.401
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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