Chemical ID: 4915730

COc1cc2c3c(c1OCc4ccccc4)NCCC3NCC2
Chemical ID:
4915730
Name [?]:
None
SMILES [?]:
COc1cc2c3c(c1OCc4ccccc4)NCCC3NCC2
InChi [?]:
InChI=1/C19H22N2O2/c1-22-16-11-14-7-9-20-15-8-10-21-18(17(14)15)19(16)23-12-13-5-3-2-4-6-13/h2-6,11,15,20-21H,7-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,23,19,22,18,4,10,11,5,20,3,6,7,8,21,17,2,9/E:(3,4)(5,6)/rA:23cCOCCCCCCOCCCCCCCNCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s7;s17;s18;s6s19;s20;s21;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.85438
Area:492.389
Solvation:-4.45534
Coulombic:-36.7117
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.39
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.55
LogP (Chemaxon):2.34

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Descriptor Annotations

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