Chemical ID: 4942784

CC1(C=Cc2c(cc(c3c2n(c4ccccc4c3=O)C)OC)O1)C
Chemical ID:
4942784
Name [?]:
None
SMILES [?]:
CC1(C=Cc2c(cc(c3c2n(c4ccccc4c3=O)C)OC)O1)C
InChi [?]:
InChI=1/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,22,15,14,16,13,4,3,7,17,5,12,6,8,9,10,18,2,11,19,21,23/E:(1,2)/rA:24nCCCCCCCCCCNCCCCCCCOCOCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s11;s8;s21;s2s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.76934
Area:482.05
Solvation:-4.28191
Coulombic:-30.3493
Bond Count [?]
All:27
Single:19
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:321.37
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.2
LogP (Chemaxon):3.88

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Experimental Annotations

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Descriptor Annotations

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