Chemical ID: 7080477

COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)Cl
Chemical ID:
7080477
Name [?]:
None
SMILES [?]:
COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C21H18ClNO4/c1-26-11-5-10-23-18(13-6-4-7-14(22)12-13)17-19(24)15-8-2-3-9-16(15)27-20(17)21(23)25/h2-4,6-9,12,18H,5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,23,4,22,24,12,15,5,3,26,21,25,11,16,8,7,9,18,19,27,6,10,20,2,17/rA:27cCOCCCNCCCOCCCCCCOCCOCCCCCCCl/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:C21H18ClNO4
All Atoms:45
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.1584
Area:591.401
Solvation:-4.62662
Coulombic:-43.9173
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:383.825
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.21
LogP (Chemaxon):3.06

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Descriptor Annotations

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