Chemical ID: 7080478

COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)O
Chemical ID:
7080478
Name [?]:
None
SMILES [?]:
COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)O
InChi [?]:
InChI=1/C21H19NO5/c1-26-11-5-10-22-18(13-6-4-7-14(23)12-13)17-19(24)15-8-2-3-9-16(15)27-20(17)21(22)25/h2-4,6-9,12,18,23H,5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,23,4,22,24,12,15,5,3,26,21,25,11,16,8,7,9,18,19,6,27,10,20,2,17/rA:27cCOCCCNCCCOCCCCCCOCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s6s18;d19;s7;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO5
All Atoms:46
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.66042
Area:574.331
Solvation:-5.69786
Coulombic:-58.677
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:365.379
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.18
LogP (Chemaxon):2.26

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Descriptor Annotations

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