Chemical ID: 4898931

CC(C)OCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)Cl
Chemical ID:
4898931
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H22ClNO4/c1-14(2)28-13-5-12-25-20(15-8-10-16(24)11-9-15)19-21(26)17-6-3-4-7-18(17)29-22(19)23(25)27/h3-4,6-11,14,20H,5,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,6,14,17,24,28,25,27,7,5,2,23,26,13,18,10,9,11,20,21,29,8,12,22,4,19/E:(1,2)(8,9)(10,11)/rA:29cCCCOCCCNCCCOCCCCCCOCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22ClNO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.1919
Area:627.285
Solvation:-4.49023
Coulombic:-44.2593
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:411.878
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):3.82

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Descriptor Annotations

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