Chemical ID: 5785213

c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)c4ccccc4Cl)c5ccc6c(c5)OCO6
Chemical ID:
5785213
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)c4ccccc4Cl)c5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C25H19ClN2O3/c26-19-7-3-1-6-18(19)25(29)28-12-11-17-16-5-2-4-8-20(16)27-23(17)24(28)15-9-10-21-22(13-15)31-14-30-21/h1-10,13,24,27H,11-12,14H2
InChi Info:
AuxInfo=1/0/N:18,1,19,2,6,17,20,3,24,25,13,12,28,30,23,5,7,16,21,4,26,27,8,10,14,22,9,11,15,31,29/rA:31cCCCCCCCCNCNCCCOCCCCCCClCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s21;s10;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19ClN2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.3399
Area:586.113
Solvation:-4.31296
Coulombic:-46.9782
Bond Count [?]
All:36
Single:25
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:430.883
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.16
LogP (Chemaxon):5.16

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Descriptor Annotations

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