Chemical ID: 4083913

COc1ccccc1NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)O
Chemical ID:
4083913
Name [?]:
4-[[(2-methoxyphenyl)carbamoylformyl]aminoiminomethyl]benzoic acid
SMILES [?]:
COc1ccccc1NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C17H15N3O5/c1-25-14-5-3-2-4-13(14)19-15(21)16(22)20-18-10-11-6-8-12(9-7-11)17(23)24/h2-10H,1H3,(H,19,21)(H,20,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,18,22,19,21,16,17,20,8,3,10,12,23,15,9,14,11,13,24,25,2/E:(6,7)(8,9)(23,24)/rA:25nCOCCCCCCNCOCONNCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.17974
Area:555.823
Solvation:-4.71583
Coulombic:-79.6
Bond Count [?]
All:26
Single:16
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:341.318
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.56
LogP (Chemaxon):2.24

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