Chemical ID: 4807819

C=CCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccco5
Chemical ID:
4807819
Name [?]:
None
SMILES [?]:
C=CCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccco5
InChi [?]:
InChI=1/C25H19NO5/c1-2-12-29-17-8-5-7-16(14-17)22-21-23(27)19-10-3-4-11-20(19)31-24(21)25(28)26(22)15-18-9-6-13-30-18/h2-11,13-14,22H,1,12,15H2
InChi Info:
AuxInfo=1/0/N:1,2,17,18,7,29,8,6,28,16,19,3,30,10,26,9,5,27,15,20,12,11,13,22,23,25,14,24,4,31,21/rA:31cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19NO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.77178
Area:631.826
Solvation:-6.02387
Coulombic:-50.546
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.422
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):3.87

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Descriptor Annotations

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