Chemical ID: 4795406

CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6)Cl
Chemical ID:
4795406
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6)Cl
InChi [?]:
InChI=1/C27H19ClN2O4/c1-2-29-20-11-7-6-10-19(20)27(26(29)33)22-23(31)18-14-17(28)12-13-21(18)34-24(22)25(32)30(27)15-16-8-4-3-5-9-16/h3-14H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,31,30,32,7,6,29,33,8,5,19,20,17,27,28,18,16,9,4,21,13,14,23,24,11,10,34,3,26,15,25,12,22/E:(4,5)(8,9)/rA:34cCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;s28;d29;s30;d31;d28s32;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H19ClN2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.7328
Area:631.324
Solvation:-4.05031
Coulombic:-53.3371
Bond Count [?]
All:39
Single:26
Double:13
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:470.904
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.29
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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