Chemical ID: 4810153

CN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CCCO
Chemical ID:
4810153
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CCCO
InChi [?]:
InChI=1/C22H18N2O5/c1-23-15-9-4-3-8-14(15)22(21(23)28)17-18(26)13-7-2-5-10-16(13)29-19(17)20(27)24(22)11-6-12-25/h2-5,7-10,25H,6,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,6,5,18,27,16,7,4,19,26,28,15,8,3,20,12,13,22,23,10,9,2,25,29,14,24,11,21/rA:29cCNCCCCCCCCOCCOCCCCCCOCCONCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s9s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.10241
Area:567.72
Solvation:-5.09059
Coulombic:-68.0294
Bond Count [?]
All:33
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:390.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.18
LogP (Chemaxon):1.07

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Descriptor Annotations

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