Chemical ID: 6913025

c1cc(ccc1c2cc3c(c(c2)Cl)NC(=O)NC34CCCCC4)C(=O)O
Chemical ID:
6913025
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2cc3c(c(c2)Cl)NC(=O)NC34CCCCC4)C(=O)O
InChi [?]:
InChI=1/C20H19ClN2O3/c21-16-11-14(12-4-6-13(7-5-12)18(24)25)10-15-17(16)22-19(26)23-20(15)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,24,25)(H2,22,23,26)
InChi Info:
AuxInfo=1/1/N:21,20,22,1,5,2,4,19,23,8,12,6,3,7,9,11,10,24,15,18,13,14,17,25,26,16/E:(2,3)(4,5)(6,7)(8,9)(24,25)/rA:26nCCCCCCCCCCCCClNCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;d15;s15;s9s17;s18;s19;s20;s21;s18s22;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O3
All Atoms:45
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2806
Area:559.829
Solvation:-2.71513
Coulombic:-64.3699
Bond Count [?]
All:29
Single:21
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:370.829
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.36
LogP (Chemaxon):3.47

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Descriptor Annotations

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