Chemical ID: 5669551

CC(=O)N=c1c2c(c3ccccc3oc2=O)nc([nH]1)c4ccc(cc4)Cl
Chemical ID:
5669551
Name [?]:
None
SMILES [?]:
CC(=O)N=c1c2c(c3ccccc3oc2=O)nc([nH]1)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C19H12ClN3O3/c1-10(24)21-18-15-16(13-4-2-3-5-14(13)26-19(15)25)22-17(23-18)11-6-8-12(20)9-7-11/h2-9H,1H3,(H,21,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,21,25,22,24,2,20,23,8,13,6,7,18,5,15,26,4,17,19,3,16,14/E:(6,7)(8,9)/rA:26nCCONCCCCCCCCCOCONCNCCCCCCCl/rB:s1;d2;s2;w4;s5;d6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;d15;s7;d17;s5s18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12ClN3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.644
Area:539.273
Solvation:-2.83785
Coulombic:-51.6125
Bond Count [?]
All:29
Single:18
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:365.77
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):3.49

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Descriptor Annotations

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