Chemical ID: 4560833

COc1ccc2c(c1)c3c([nH]2)C(NCC3)c4ccccc4OC
Chemical ID:
4560833
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)C(NCC3)c4ccccc4OC
InChi [?]:
InChI=1/C19H20N2O2/c1-22-12-7-8-16-15(11-12)13-9-10-20-18(19(13)21-16)14-5-3-4-6-17(14)23-2/h3-8,11,18,20-21H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,18,19,17,20,4,5,15,14,8,3,9,16,7,6,21,12,10,13,11,2,22/rA:23cCOCCCCCCCCNCNCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;s13;s9s14;s12;s16;d17;s18;d19;d16s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.31305
Area:489.992
Solvation:-3.93675
Coulombic:-35.46
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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