Chemical ID: 4989802

c1ccc(cc1)C(=O)Nc2cc(cc3c2ccc(c3)S(=O)(=O)O)S(=O)(=O)O
Chemical ID:
4989802
Name [?]:
4-benzamidonaphthalene-2,7-disulfonic acid
SMILES [?]:
c1ccc(cc1)C(=O)Nc2cc(cc3c2ccc(c3)S(=O)(=O)O)S(=O)(=O)O
InChi [?]:
InChI=1/C17H13NO7S2/c19-17(11-4-2-1-3-5-11)18-16-10-14(27(23,24)25)9-12-8-13(26(20,21)22)6-7-15(12)16/h1-10H,(H,18,19)(H,20,21,22)(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,16,19,13,11,4,14,18,12,15,10,7,9,8,21,22,23,25,26,27,20,24/E:(2,3)(4,5)(20,21,22)(23,24,25)/CRV:26.6,27.6/rA:27nCCCCCCCONCCCCCCCCCCSOOOSOOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s18;d20;d20;s20;s12;d24;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO7S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3307
Area:579.229
Solvation:-4.15003
Coulombic:-53.4935
Bond Count [?]
All:29
Single:16
Double:13
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.42
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:1.31
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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