Chemical ID: 6621605

c1ccc2c(c1)cccc2C(=O)NN=Cc3ccc(cc3)OC(=O)c4ccccc4Cl
Chemical ID:
6621605
Name [?]:
[4-(1-naphthylcarbonylaminoiminomethyl)phenyl] 2-chlorobenzoate
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)NN=Cc3ccc(cc3)OC(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C25H17ClN2O3/c26-23-11-4-3-9-22(23)25(30)31-19-14-12-17(13-15-19)16-27-28-24(29)21-10-5-7-18-6-1-2-8-20(18)21/h1-16H,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,27,28,8,6,7,3,26,9,29,17,21,18,20,15,16,5,19,4,10,25,30,11,23,31,14,13,12,24,22/E:(12,13)(14,15)/rA:31nCCCCCCCCCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H17ClN2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.1273
Area:646.813
Solvation:-4.04305
Coulombic:-42.5984
Bond Count [?]
All:34
Single:20
Double:14
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:428.867
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.38
LogP (Chemaxon):5.99

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