Chemical ID: 6635425

Cc1cc(ccc1[N+](=O)[O-])OP(=S)(OC)Oc2ccc(c(c2)C)[N+](=O)[O-]
Chemical ID:
6635425
Name [?]:
methoxy-bis(3-methyl-4-nitro-phenoxy)-thioxo-phosphorane
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])OP(=S)(OC)Oc2ccc(c(c2)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H15N2O7PS/c1-10-8-12(4-6-14(10)16(18)19)23-25(26,22-3)24-13-5-7-15(17(20)21)11(2)9-13/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,15,5,18,6,19,3,22,2,21,4,17,7,20,8,24,9,10,25,26,14,11,16,12,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19,20,21)(23,24)/CRV:16.5,17.5/rA:26nCCCCCCCN+OO-OPSOCOCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;s11;d12;s12;s14;s12;s16;s17;d18;s19;d20;d17s21;s21;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N2O7PS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-0.025563
Area:556.496
Solvation:-13.938
Coulombic:-48.6974
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:398.329
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:5.08
LogP (Chemaxon):4.38

Name Annotations

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Descriptor Annotations

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